N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide

C17H19NO2 — CID 50752885

IUPACN-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)C=C(C(=O)NC1CCCC1)C=CO2
InChIInChI=1S/C17H19NO2/c1-12-6-7-16-14(10-12)11-13(8-9-20-16)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyUSCUPHSDVUKNRN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.34
Rot. Bonds2

About N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide

N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide (PubChem CID 50752885) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide
PubChem CID50752885
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide
SMILESCc1ccc2c(c1)C=C(C(=O)NC1CCCC1)C=CO2
InChIInChI=1S/C17H19NO2/c1-12-6-7-16-14(10-12)11-13(8-9-20-16)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyUSCUPHSDVUKNRN-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-benzoxepine-4-carboxamide
CID 16648766
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
N-cyclooctyl-4-methylbenzamide
CID 3995245
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-cyclooctyl-3-methylbenzamide
CID 966011

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide?
The IUPAC name of N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide (CID 50752885) is N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide is Cc1ccc2c(c1)C=C(C(=O)NC1CCCC1)C=CO2.
What is the InChIKey of N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide?
The InChIKey is USCUPHSDVUKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-6-7-16-14(10-12)11-13(8-9-20-16)17(19)18-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide?
N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-methyl-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 50752885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).