N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C19H18N2O4 — CID 110344982

IUPACN-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H18N2O4/c1-12-2-5-14(6-3-12)20-18(23)9-7-16(22)13-4-8-17-15(10-13)21-19(24)11-25-17/h2-6,8,10H,7,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGGADCKMISUVJB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.93
Rot. Bonds5

About N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 110344982) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID110344982
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H18N2O4/c1-12-2-5-14(6-3-12)20-18(23)9-7-16(22)13-4-8-17-15(10-13)21-19(24)11-25-17/h2-6,8,10H,7,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGGADCKMISUVJB-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110345004
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
2-[[4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoyl]amino]butanoic acid
CID 82033923
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408144
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408145
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 110344982) is N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is FGGADCKMISUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-2-5-14(6-3-12)20-18(23)9-7-16(22)13-4-8-17-15(10-13)21-19(24)11-25-17/h2-6,8,10H,7,9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 338.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 110344982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).