(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide

C20H22N2O3 — CID 9145292

IUPAC(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-7-16(14-8-5-4-6-9-14)20(24)21-15-10-11-18-17(12-15)22-19(23)13(2)25-18/h4-6,8-13,16H,3,7H2,1-2H3,(H,21,24)(H,22,23)/t13-,16-/m0/s1
InChIKeyGCGRKDSUXYGDNV-BBRMVZONSA-N
MW338.41 g/mol
LogP3.93
Rot. Bonds5

About (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide

(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide (PubChem CID 9145292) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
PubChem CID9145292
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-7-16(14-8-5-4-6-9-14)20(24)21-15-10-11-18-17(12-15)22-19(23)13(2)25-18/h4-6,8-13,16H,3,7H2,1-2H3,(H,21,24)(H,22,23)/t13-,16-/m0/s1
InChIKeyGCGRKDSUXYGDNV-BBRMVZONSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide 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

(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide
CID 51955827
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
(2R)-2-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methylsulfanylbutanamide
CID 104907196
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 103930986
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
(2S)-2-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119273967
2-amino-3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273978
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide (CID 9145292) is (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide is CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide?
The InChIKey is GCGRKDSUXYGDNV-BBRMVZONSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-7-16(14-8-5-4-6-9-14)20(24)21-15-10-11-18-17(12-15)22-19(23)13(2)25-18/h4-6,8-13,16H,3,7H2,1-2H3,(H,21,24)(H,22,23)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide?
(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide has a molecular weight of 338.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide is sourced from PubChem (CID 9145292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).