N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C18H18N2O4 — CID 110682853

IUPACN-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3)cc1
InChIInChI=1S/C18H18N2O4/c1-3-23-14-7-5-13(6-8-14)19-18(22)12-4-9-15-16(10-12)24-11(2)17(21)20-15/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQROJLRCOMKFTRD-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.06
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682853) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682853
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3)cc1
InChIInChI=1S/C18H18N2O4/c1-3-23-14-7-5-13(6-8-14)19-18(22)12-4-9-15-16(10-12)24-11(2)17(21)20-15/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQROJLRCOMKFTRD-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
CID 9145525
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
2-(4-ethoxyphenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9146473
2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide
CID 110682855
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethoxy)benzamide
CID 17415396
2-ethoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide
CID 41036803
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682883
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-4-ethoxybenzamide
CID 40887100
4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9145193

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 110682853) is N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is QROJLRCOMKFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-23-14-7-5-13(6-8-14)19-18(22)12-4-9-15-16(10-12)24-11(2)17(21)20-15/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).