(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

C166H176N24O6 — CID 167609264

IUPAC(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/4C28H30N4O.2C27H28N4O/c4*1-20-9-11-22(12-10-20)17-21(2)30-27(24-7-5-4-6-8-24)28(33)31-26-15-13-23(14-16-26)25-18-29-32(3)19-25;2*1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h4*4-16,18-19,21,27,30H,17H2,1-3H3,(H,31,33);2*3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)/t2*21-,27+;2*21-,27-;2*26-/m101010/s1
InChIKeyKURNXPHXIXITSY-MRPWSIOTSA-N
MW2603.40 g/mol
LogP31.00
Rot. Bonds48

About (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (PubChem CID 167609264) has the molecular formula C166H176N24O6 and a molecular weight of 2603.40 g/mol. Its IUPAC name is (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
PubChem CID167609264
Molecular FormulaC166H176N24O6
Molecular Weight2603.40 g/mol
Exact Mass2601.42
IUPAC Name(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/4C28H30N4O.2C27H28N4O/c4*1-20-9-11-22(12-10-20)17-21(2)30-27(24-7-5-4-6-8-24)28(33)31-26-15-13-23(14-16-26)25-18-29-32(3)19-25;2*1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h4*4-16,18-19,21,27,30H,17H2,1-3H3,(H,31,33);2*3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)/t2*21-,27+;2*21-,27-;2*26-/m101010/s1
InChIKeyKURNXPHXIXITSY-MRPWSIOTSA-N
XLogP31.00
TPSA353.70 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002603.40
LogP ≤ 531.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide with MolForge

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Related Compounds

(2S)-N-[4-[1-methyl-5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]pyrazol-3-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58533055
1-[[2-Fluoro-4-[1-[2-[4-[1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]piperidin-1-yl]propyl]-2-methylpyrazol-2-ium-4-yl]phenyl]methyl]-1'-piperidin-3-ylspiro[indole-3,4'-piperidine]-2-one
CID 123178288
CID 158425200
CID 158425200
N-[2,3-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide;bis(N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2,6-difluorobenzamide);N-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-fluoro-6-methylbenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2,6-difluorobenzamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2,5-difluorophenyl]-2-fluorobenzamide
CID 159183784
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167635763
4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide
CID 139236281
4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
CID 139236282
N-[4-[1-methyl-3-[4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]pyrazol-5-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
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N-[(2R)-6-amino-1-[4-[bis[4-[[(2R)-6-amino-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]hexanoyl]amino]phenyl]methyl]anilino]-1-oxohexan-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 87971267
N-[(2R)-6-amino-1-[4-[bis[4-[[(2R)-6-amino-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]hexanoyl]amino]phenyl]methyl]anilino]-1-oxohexan-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 87971268
N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide
CID 123852862
3-[4-[(1S)-1-[2-(4-cyanophenyl)ethylamino]-2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]phenyl]-4-[2-[[(1R)-2-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzonitrile
CID 156293402

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (CID 167609264) is (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is KURNXPHXIXITSY-MRPWSIOTSA-N. The full InChI is InChI=1S/4C28H30N4O.2C27H28N4O/c4*1-20-9-11-22(12-10-20)17-21(2)30-27(24-7-5-4-6-8-24)28(33)31-26-15-13-23(14-16-26)25-18-29-32(3)19-25;2*1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h4*4-16,18-19,21,27,30H,17H2,1-3H3,(H,31,33);2*3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)/t2*21-,27+;2*21-,27-;2*26-/m101010/s1.
What are the key properties of (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 2603.40 g/mol, XLogP of 31.00, 48 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2S)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 167609264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).