N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide

C24H22N2O3 — CID 166206936

IUPACN-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCOc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23(26-15-16-29-22-14-8-7-13-21(22)26)17-20(18-9-3-1-4-10-18)25-24(28)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,25,28)
InChIKeyZSEJTTNKZPTVKF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.97
Rot. Bonds5

About N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide

N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 166206936) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID166206936
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCOc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23(26-15-16-29-22-14-8-7-13-21(22)26)17-20(18-9-3-1-4-10-18)25-24(28)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,25,28)
InChIKeyZSEJTTNKZPTVKF-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 97247705
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,2-diphenylethyl)-4-oxobutanamide
CID 56563124
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3,3-dimethyl-1-phenylbutyl)-4-oxobutanamide
CID 56565281
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2,2-dimethyl-1-phenylpropyl)-4-oxobutanamide
CID 56582713
N-[(1S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]methanesulfonamide
CID 100783444
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[(1S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 25440542
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide (CID 166206936) is N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide is O=C(NC(CC(=O)N1CCOc2ccccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is ZSEJTTNKZPTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(26-15-16-29-22-14-8-7-13-21(22)26)17-20(18-9-3-1-4-10-18)25-24(28)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,25,28).
What are the key properties of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 166206936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).