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

C19H18N2O5 — CID 110345004

IUPACN-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCOc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H18N2O5/c1-25-14-4-2-3-13(10-14)20-18(23)8-6-16(22)12-5-7-17-15(9-12)21-19(24)11-26-17/h2-5,7,9-10H,6,8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIKTBEDJUOPVNCR-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.63
Rot. Bonds6

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

N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 110345004) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID110345004
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCOc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H18N2O5/c1-25-14-4-2-3-13(10-14)20-18(23)8-6-16(22)12-5-7-17-15(9-12)21-19(24)11-26-17/h2-5,7,9-10H,6,8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIKTBEDJUOPVNCR-UHFFFAOYSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
6-(3-methoxybenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339539
2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9039455
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-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 138041946
2-[[4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoyl]amino]butanoic acid
CID 82033923
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
CID 110344950
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 110345004) is N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is COc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is IKTBEDJUOPVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-14-4-2-3-13(10-14)20-18(23)8-6-16(22)12-5-7-17-15(9-12)21-19(24)11-26-17/h2-5,7,9-10H,6,8,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 354.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 110345004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).