2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide

C20H22N2O3 — CID 23409730

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2C(=O)COc3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)21-20(24)15(4)22-16-7-5-6-8-17(16)25-11-18(22)23/h5-10,15H,11H2,1-4H3,(H,21,24)
InChIKeyCOTQDNYTPJHKMA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 23409730) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID23409730
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2C(=O)COc3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)21-20(24)15(4)22-16-7-5-6-8-17(16)25-11-18(22)23/h5-10,15H,11H2,1-4H3,(H,21,24)
InChIKeyCOTQDNYTPJHKMA-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409734
(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409757
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409636
(2R)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 40978595
N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46290901
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3291345
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanehydrazide
CID 63578860
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409886
2-fluoro-2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 81297577
N-[(2-ethoxyphenyl)methyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 22427061

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 23409730) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2C(=O)COc3ccccc32)c(C)c1.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is COTQDNYTPJHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)21-20(24)15(4)22-16-7-5-6-8-17(16)25-11-18(22)23/h5-10,15H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 23409730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).