N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide

C22H27NO2 — CID 100660821

IUPACN-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-4-25-20-11-10-19(15-17(20)3)23-21(24)22(12-5-6-13-22)18-9-7-8-16(2)14-18/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,23,24)
InChIKeyFCXQHMAHMYWXAY-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.15
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide

N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 100660821) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID100660821
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-4-25-20-11-10-19(15-17(20)3)23-21(24)22(12-5-6-13-22)18-9-7-8-16(2)14-18/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,23,24)
InChIKeyFCXQHMAHMYWXAY-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
methyl 2-ethoxy-5-[[4-(3-methylphenyl)oxane-4-carbonyl]amino]benzoate
CID 100748319
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111
methyl 5-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100719723
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide (CID 100660821) is N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is FCXQHMAHMYWXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-4-25-20-11-10-19(15-17(20)3)23-21(24)22(12-5-6-13-22)18-9-7-8-16(2)14-18/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100660821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).