(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H27N5O3 — CID 8594523

IUPAC(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H27N5O3/c1-12-18(13(2)24(5)22-12)21-19(26)14(3)23(4)11-17(25)20-15-8-7-9-16(10-15)27-6/h7-10,14H,11H2,1-6H3,(H,20,25)(H,21,26)/t14-/m1/s1
InChIKeyQZEJMWIUFGHDHP-CQSZACIVSA-N
MW373.46 g/mol
LogP1.94
Rot. Bonds7

About (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8594523) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8594523
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H27N5O3/c1-12-18(13(2)24(5)22-12)21-19(26)14(3)23(4)11-17(25)20-15-8-7-9-16(10-15)27-6/h7-10,14H,11H2,1-6H3,(H,20,25)(H,21,26)/t14-/m1/s1
InChIKeyQZEJMWIUFGHDHP-CQSZACIVSA-N
XLogP1.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8815206
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
N-(2,4-dichlorophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46601499
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8911415
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8556267
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8556272
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-methoxybenzoate
CID 8648379

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8594523) is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1.
What is the InChIKey of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QZEJMWIUFGHDHP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-18(13(2)24(5)22-12)21-19(26)14(3)23(4)11-17(25)20-15-8-7-9-16(10-15)27-6/h7-10,14H,11H2,1-6H3,(H,20,25)(H,21,26)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 373.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8594523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).