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

C17H14N2O3 — CID 789646

IUPACN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C17H14N2O3/c1-2-15(20)18-12-9-7-11(8-10-12)16-19-14-6-4-3-5-13(14)17(21)22-16/h3-10H,2H2,1H3,(H,18,20)
InChIKeyWTSWFEUKDYJPPN-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.20
Rot. Bonds3

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

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (PubChem CID 789646) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
PubChem CID789646
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C17H14N2O3/c1-2-15(20)18-12-9-7-11(8-10-12)16-19-14-6-4-3-5-13(14)17(21)22-16/h3-10H,2H2,1H3,(H,18,20)
InChIKeyWTSWFEUKDYJPPN-UHFFFAOYSA-N
XLogP3.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzoylanthranilate
CID 5091716
Methyl n-acetylanthranilate
CID 17623
Ethyl 4-(benzoylamino)benzoate
CID 12914
6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one
CID 784738
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
2-Phenyl-3,1-benzoxazin-4-one
CID 13926
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 704820
Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
CID 1097045

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (CID 789646) is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The InChIKey is WTSWFEUKDYJPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-15(20)18-12-9-7-11(8-10-12)16-19-14-6-4-3-5-13(14)17(21)22-16/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide has a molecular weight of 294.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 789646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).