3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide

C21H20N2O4 — CID 3663025

IUPAC3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide
SMILESCC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)NC3CC3)c1)C(=O)CO2
InChIInChI=1S/C21H20N2O4/c1-13(24)15-5-8-19-18(10-15)23(20(25)12-27-19)11-14-3-2-4-16(9-14)21(26)22-17-6-7-17/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,22,26)
InChIKeyURJBWKCJNOUAEK-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.71
Rot. Bonds5

About 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide

3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide (PubChem CID 3663025) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide
PubChem CID3663025
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide
SMILESCC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)NC3CC3)c1)C(=O)CO2
InChIInChI=1S/C21H20N2O4/c1-13(24)15-5-8-19-18(10-15)23(20(25)12-27-19)11-14-3-2-4-16(9-14)21(26)22-17-6-7-17/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,22,26)
InChIKeyURJBWKCJNOUAEK-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877
ethyl 1-[3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 4578427
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
N-(3-methylbutyl)-3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4626620
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-methylbutyl)benzamide
CID 4603306
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4218925
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 4221788
3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 3550394
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525

Frequently Asked Questions

What is the IUPAC name of 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide (CID 3663025) is 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide is CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)NC3CC3)c1)C(=O)CO2.
What is the InChIKey of 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide?
The InChIKey is URJBWKCJNOUAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(24)15-5-8-19-18(10-15)23(20(25)12-27-19)11-14-3-2-4-16(9-14)21(26)22-17-6-7-17/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,22,26).
What are the key properties of 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide?
3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide has a molecular weight of 364.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 3663025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).