(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide

C24H31N3O3 — CID 59639297

IUPAC(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
SMILESCc1ccc(NC[C@H](C)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-8-10-21(11-9-18)25-17-19(2)26-24(29)22(20-6-4-3-5-7-20)16-23(28)27-12-14-30-15-13-27/h3-11,19,22,25H,12-17H2,1-2H3,(H,26,29)/t19-,22-/m0/s1
InChIKeyFKWFHVKZPWCZGL-UGKGYDQZSA-N
MW409.53 g/mol
LogP2.94
Rot. Bonds8

About (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide

(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide (PubChem CID 59639297) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
PubChem CID59639297
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
SMILESCc1ccc(NC[C@H](C)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-8-10-21(11-9-18)25-17-19(2)26-24(29)22(20-6-4-3-5-7-20)16-23(28)27-12-14-30-15-13-27/h3-11,19,22,25H,12-17H2,1-2H3,(H,26,29)/t19-,22-/m0/s1
InChIKeyFKWFHVKZPWCZGL-UGKGYDQZSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide with MolForge

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Related Compounds

(2S)-4-morpholin-4-yl-4-oxo-2-phenyl-N-[1-phenyl-2-[4-(trifluoromethoxy)anilino]ethyl]butanamide
CID 69098527
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
(2R)-N-[(2S)-3-methyl-1-(4-methylanilino)butan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)pent-4-enamide
CID 59639350
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
CID 110901323
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
CID 97020119
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide (CID 59639297) is (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide is Cc1ccc(NC[C@H](C)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide?
The InChIKey is FKWFHVKZPWCZGL-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-8-10-21(11-9-18)25-17-19(2)26-24(29)22(20-6-4-3-5-7-20)16-23(28)27-12-14-30-15-13-27/h3-11,19,22,25H,12-17H2,1-2H3,(H,26,29)/t19-,22-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide?
(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide has a molecular weight of 409.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide is sourced from PubChem (CID 59639297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).