N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C24H22N2O4 — CID 26285561

IUPACN-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-17-10-12-18(13-11-17)30-21-8-4-2-6-19(21)25-23(27)14-15-26-20-7-3-5-9-22(20)29-16-24(26)28/h2-13H,14-16H2,1H3,(H,25,27)
InChIKeyWWBHUXPDURWETF-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.54
Rot. Bonds6

About N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 26285561) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID26285561
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-17-10-12-18(13-11-17)30-21-8-4-2-6-19(21)25-23(27)14-15-26-20-7-3-5-9-22(20)29-16-24(26)28/h2-13H,14-16H2,1H3,(H,25,27)
InChIKeyWWBHUXPDURWETF-UHFFFAOYSA-N
XLogP4.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-(2-ethoxy-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87027116
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
[2-(2-methoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737344
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9374640
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 26813897
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 38957191

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 26285561) is N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1ccc(Oc2ccccc2NC(=O)CCN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is WWBHUXPDURWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17-10-12-18(13-11-17)30-21-8-4-2-6-19(21)25-23(27)14-15-26-20-7-3-5-9-22(20)29-16-24(26)28/h2-13H,14-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 26285561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).