N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide

C20H23NO2 — CID 27038654

IUPACN-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)cc1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-19-12-11-18(21-20(22)16-9-5-6-10-16)14-17(19)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16H,5-6,9-10,13H2,1H3,(H,21,22)
InChIKeyLVOVRUBMIGTSSD-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.41
Rot. Bonds5

About N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide

N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide (PubChem CID 27038654) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
PubChem CID27038654
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)cc1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-19-12-11-18(21-20(22)16-9-5-6-10-16)14-17(19)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16H,5-6,9-10,13H2,1H3,(H,21,22)
InChIKeyLVOVRUBMIGTSSD-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55759678
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55598977
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
1-benzyl-3-(3-benzyl-4-methoxyphenyl)thiourea
CID 154799805
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112825312
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 110194127

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide (CID 27038654) is N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide is COc1ccc(NC(=O)C2CCCC2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide?
The InChIKey is LVOVRUBMIGTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-19-12-11-18(21-20(22)16-9-5-6-10-16)14-17(19)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16H,5-6,9-10,13H2,1H3,(H,21,22).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide?
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 27038654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).