N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C18H18N2O3 — CID 17417944

IUPACN-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N2O3/c1-3-12-6-4-5-11(2)17(12)20-18(22)13-7-8-15-14(9-13)19-16(21)10-23-15/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAPCPRSMZCBXCSP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.14
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17417944) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17417944
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N2O3/c1-3-12-6-4-5-11(2)17(12)20-18(22)13-7-8-15-14(9-13)19-16(21)10-23-15/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAPCPRSMZCBXCSP-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
(3S)-N-(2-ethyl-6-methylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92870785
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-[(2-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023814
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325541
N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
CID 110485449

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 17417944) is N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is APCPRSMZCBXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-12-6-4-5-11(2)17(12)20-18(22)13-7-8-15-14(9-13)19-16(21)10-23-15/h4-9H,3,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17417944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).