1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide

C21H25NO2 — CID 100692286

IUPAC1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-14-18(22-20(23)21(2)12-6-7-13-21)10-11-19(16)24-15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeyOWGOVEXQDMXVNO-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.09
Rot. Bonds5

About 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide

1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100692286) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100692286
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-14-18(22-20(23)21(2)12-6-7-13-21)10-11-19(16)24-15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)
InChIKeyOWGOVEXQDMXVNO-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731535
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide (CID 100692286) is 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(C)CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is OWGOVEXQDMXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-14-18(22-20(23)21(2)12-6-7-13-21)10-11-19(16)24-15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100692286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).