2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide

C20H20N2O3 — CID 110630382

IUPAC2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
SMILESCN1C(=O)COc2c(NC(=O)C(c3ccccc3)C3CC3)cccc21
InChIInChI=1S/C20H20N2O3/c1-22-16-9-5-8-15(19(16)25-12-17(22)23)21-20(24)18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18H,10-12H2,1H3,(H,21,24)
InChIKeyFDJZCFGGZZVOAU-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.17
Rot. Bonds4

About 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide

2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide (PubChem CID 110630382) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
PubChem CID110630382
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
SMILESCN1C(=O)COc2c(NC(=O)C(c3ccccc3)C3CC3)cccc21
InChIInChI=1S/C20H20N2O3/c1-22-16-9-5-8-15(19(16)25-12-17(22)23)21-20(24)18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18H,10-12H2,1H3,(H,21,24)
InChIKeyFDJZCFGGZZVOAU-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide 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

1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide
CID 110309267
2-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607716
8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630401
4-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69411820
2-[(2-cyclopropyl-2-phenylacetyl)amino]benzamide
CID 110675339
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110630366
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide?
The IUPAC name of 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide (CID 110630382) is 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide is CN1C(=O)COc2c(NC(=O)C(c3ccccc3)C3CC3)cccc21.
What is the InChIKey of 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide?
The InChIKey is FDJZCFGGZZVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22-16-9-5-8-15(19(16)25-12-17(22)23)21-20(24)18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18H,10-12H2,1H3,(H,21,24).
What are the key properties of 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide?
2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide is sourced from PubChem (CID 110630382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).