2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide

C18H18N2O3 — CID 23409595

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide
SMILESCC1Oc2ccccc2N(C(C)C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12(17(21)19-14-8-4-3-5-9-14)20-15-10-6-7-11-16(15)23-13(2)18(20)22/h3-13H,1-2H3,(H,19,21)
InChIKeyJDMOYWZYBBCJNP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide (PubChem CID 23409595) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide
PubChem CID23409595
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide
SMILESCC1Oc2ccccc2N(C(C)C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12(17(21)19-14-8-4-3-5-9-14)20-15-10-6-7-11-16(15)23-13(2)18(20)22/h3-13H,1-2H3,(H,19,21)
InChIKeyJDMOYWZYBBCJNP-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
CID 23409620
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3381852
N-(4-bromophenyl)-2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409830
(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 124869695
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-(6-hydroxy-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 82063434
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23409914
4-[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]butanoic acid
CID 82033813
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
(2R)-2-amino-N-phenylpropanamide
CID 10607114

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide (CID 23409595) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide is CC1Oc2ccccc2N(C(C)C(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide?
The InChIKey is JDMOYWZYBBCJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(17(21)19-14-8-4-3-5-9-14)20-15-10-6-7-11-16(15)23-13(2)18(20)22/h3-13H,1-2H3,(H,19,21).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 23409595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).