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

C18H18N2O3 — CID 9191658

IUPACN-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccccc1NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-13-6-2-3-7-14(13)19-17(21)10-11-20-15-8-4-5-9-16(15)23-12-18(20)22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyWKBLHMRMXOQZHO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds4

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

N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 9191658) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID9191658
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccccc1NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-13-6-2-3-7-14(13)19-17(21)10-11-20-15-8-4-5-9-16(15)23-12-18(20)22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyWKBLHMRMXOQZHO-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 9191658) is N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1ccccc1NC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is WKBLHMRMXOQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-6-2-3-7-14(13)19-17(21)10-11-20-15-8-4-5-9-16(15)23-12-18(20)22/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 9191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).