(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide

C15H23N3O2 — CID 97018627

IUPAC(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
SMILESCC(C)NC(=O)CN[C@H](C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(20)10-16-12(3)9-14(19)18-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOZKJZYSJWVDITA-GFCCVEGCSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds7

About (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide

(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide (PubChem CID 97018627) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide.

Molecular Properties

Compound Name(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
PubChem CID97018627
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
SMILESCC(C)NC(=O)CN[C@H](C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(20)10-16-12(3)9-14(19)18-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOZKJZYSJWVDITA-GFCCVEGCSA-N
XLogP1.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide?
The IUPAC name of (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide (CID 97018627) is (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide.
What is the SMILES notation for (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide?
The canonical SMILES for (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide is CC(C)NC(=O)CN[C@H](C)CC(=O)Nc1ccccc1.
What is the InChIKey of (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide?
The InChIKey is OZKJZYSJWVDITA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)17-15(20)10-16-12(3)9-14(19)18-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide?
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide is sourced from PubChem (CID 97018627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).