N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C20H21N3O4 — CID 46463428

IUPACN-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-13-7-8-15(21-14(2)24)11-16(13)22-19(25)9-10-23-17-5-3-4-6-18(17)27-12-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHKGHNEPXDLYQTI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.71
Rot. Bonds5

About N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 46463428) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID46463428
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-13-7-8-15(21-14(2)24)11-16(13)22-19(25)9-10-23-17-5-3-4-6-18(17)27-12-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHKGHNEPXDLYQTI-UHFFFAOYSA-N
XLogP2.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
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-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
N-(2-ethoxy-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87027116
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285561
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 46463428) is N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is CC(=O)Nc1ccc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is HKGHNEPXDLYQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-7-8-15(21-14(2)24)11-16(13)22-19(25)9-10-23-17-5-3-4-6-18(17)27-12-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 46463428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).