N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide

C26H26N2O4 — CID 42801569

IUPACN-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(CCc2ccccc2)C1=O
InChIInChI=1S/C26H26N2O4/c1-19-26(30)28(15-14-20-8-4-2-5-9-20)17-21-16-22(12-13-24(21)32-19)27-25(29)18-31-23-10-6-3-7-11-23/h2-13,16,19H,14-15,17-18H2,1H3,(H,27,29)
InChIKeyAPBYWPIDUDYELQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.06
Rot. Bonds7

About N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide

N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide (PubChem CID 42801569) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide
PubChem CID42801569
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(CCc2ccccc2)C1=O
InChIInChI=1S/C26H26N2O4/c1-19-26(30)28(15-14-20-8-4-2-5-9-20)17-21-16-22(12-13-24(21)32-19)27-25(29)18-31-23-10-6-3-7-11-23/h2-13,16,19H,14-15,17-18H2,1H3,(H,27,29)
InChIKeyAPBYWPIDUDYELQ-UHFFFAOYSA-N
XLogP4.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-4-[(2R)-butan-2-yl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide
CID 93120654
(2R)-N-[(2R)-2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide
CID 93121006
4-methoxy-N-[(2S)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93121347
2-(3-methoxyphenyl)-N-[(2S)-4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide
CID 93121125
N-[(2R)-4-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-methoxybenzamide
CID 93124289
1-benzyl-3-[(2R)-4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea
CID 93121838
N-[4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide
CID 42804243
N-[(2R)-4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide
CID 93121632
N-[(2S)-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxybenzamide
CID 93120531
2-(3-methoxyphenyl)-N-[(2R)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide
CID 93121524
N-[(2R)-2-methyl-3-oxo-4-propan-2-yl-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide
CID 93120494
2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide
CID 93121503

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide (CID 42801569) is N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide is CC1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(CCc2ccccc2)C1=O.
What is the InChIKey of N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide?
The InChIKey is APBYWPIDUDYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19-26(30)28(15-14-20-8-4-2-5-9-20)17-21-16-22(12-13-24(21)32-19)27-25(29)18-31-23-10-6-3-7-11-23/h2-13,16,19H,14-15,17-18H2,1H3,(H,27,29).
What are the key properties of N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide?
N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide has a molecular weight of 430.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42801569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).