2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide

C19H20N2O3 — CID 38958990

IUPAC2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N2O3/c1-12-5-3-4-6-14(12)10-18(22)20-13(2)15-7-8-17-16(9-15)21-19(23)11-24-17/h3-9,13H,10-11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyWEFQMNFKOHAGTI-ZDUSSCGKSA-N
MW324.38 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide

2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (PubChem CID 38958990) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
PubChem CID38958990
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N2O3/c1-12-5-3-4-6-14(12)10-18(22)20-13(2)15-7-8-17-16(9-15)21-19(23)11-24-17/h3-9,13H,10-11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyWEFQMNFKOHAGTI-ZDUSSCGKSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
CID 38960523
3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
CID 119728794
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43063607
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
6-[1-chloro-2-(2-methylphenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 61086253
3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 71896961
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
1-[(3-methylthiophen-2-yl)methyl]-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 71894686
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97088714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (CID 38958990) is 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is Cc1ccccc1CC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The InChIKey is WEFQMNFKOHAGTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-5-3-4-6-14(12)10-18(22)20-13(2)15-7-8-17-16(9-15)21-19(23)11-24-17/h3-9,13H,10-11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is sourced from PubChem (CID 38958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).