3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide

C20H21N3O4 — CID 134019800

IUPAC3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O4/c1-12(2)18(23-17(24)10-13-6-4-3-5-7-13)19(25)21-14-8-9-16-15(11-14)22-20(26)27-16/h3-9,11-12,18H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyVYSHOUIWWVAPCK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.44
Rot. Bonds6

About 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 134019800) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID134019800
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O4/c1-12(2)18(23-17(24)10-13-6-4-3-5-7-13)19(25)21-14-8-9-16-15(11-14)22-20(26)27-16/h3-9,11-12,18H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyVYSHOUIWWVAPCK-UHFFFAOYSA-N
XLogP2.44
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide with MolForge

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Related Compounds

2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019681
4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019693
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 166190370
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide (CID 134019800) is 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is VYSHOUIWWVAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(2)18(23-17(24)10-13-6-4-3-5-7-13)19(25)21-14-8-9-16-15(11-14)22-20(26)27-16/h3-9,11-12,18H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 367.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 134019800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).