N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H21N3O4 — CID 18154126

IUPACN-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CN(C(C)=O)c3ccccc3O2)cc1
InChIInChI=1S/C20H21N3O4/c1-13(24)22-16-9-7-15(8-10-16)11-21-20(26)19-12-23(14(2)25)17-5-3-4-6-18(17)27-19/h3-10,19H,11-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyUUFIQOPMENDOKB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.08
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 18154126) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID18154126
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CN(C(C)=O)c3ccccc3O2)cc1
InChIInChI=1S/C20H21N3O4/c1-13(24)22-16-9-7-15(8-10-16)11-21-20(26)19-12-23(14(2)25)17-5-3-4-6-18(17)27-19/h3-10,19H,11-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyUUFIQOPMENDOKB-UHFFFAOYSA-N
XLogP2.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide 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

(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478
4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 22107866
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
4-acetyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42938457
4-acetyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18114768
4-acetyl-N-[4-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42896036
4-acetyl-N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 45281354
(2S)-4-acetyl-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41323984
4-acetyl-N-(3,4-dichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029722
4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16602320
(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991388
4-acetyl-N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18194453

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 18154126) is N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)Nc1ccc(CNC(=O)C2CN(C(C)=O)c3ccccc3O2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is UUFIQOPMENDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(24)22-16-9-7-15(8-10-16)11-21-20(26)19-12-23(14(2)25)17-5-3-4-6-18(17)27-19/h3-10,19H,11-12H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 18154126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).