N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide

C29H39NO2 — CID 176716581

IUPACN-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CCCC2)c1C
InChIInChI=1S/C29H39NO2/c1-3-32-28-15-9-14-26(21(28)2)27-19-18-25(30-29(31)23-12-5-4-6-13-23)20-24(27)17-16-22-10-7-8-11-22/h9,14-15,18-20,22-23H,3-8,10-13,16-17H2,1-2H3,(H,30,31)
InChIKeyVUORRZMIFCESBG-UHFFFAOYSA-N
MW433.64 g/mol
LogP7.70
Rot. Bonds8

About N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide

N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide (PubChem CID 176716581) has the molecular formula C29H39NO2 and a molecular weight of 433.64 g/mol. Its IUPAC name is N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
PubChem CID176716581
Molecular FormulaC29H39NO2
Molecular Weight433.64 g/mol
Exact Mass433.30
IUPAC NameN-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CCCC2)c1C
InChIInChI=1S/C29H39NO2/c1-3-32-28-15-9-14-26(21(28)2)27-19-18-25(30-29(31)23-12-5-4-6-13-23)20-24(27)17-16-22-10-7-8-11-22/h9,14-15,18-20,22-23H,3-8,10-13,16-17H2,1-2H3,(H,30,31)
InChIKeyVUORRZMIFCESBG-UHFFFAOYSA-N
XLogP7.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
CID 176716608
2-[[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 176716671
CID 176716568
CID 176716568
(1S)-N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]-2-formylcyclohexane-1-carboxamide;methoxymethane
CID 176716569
N-[4-(3-ethoxy-2-methylphenyl)-3-[(3-methylcyclopentyl)oxymethyl]phenyl]cyclohexanecarboxamide
CID 176716670
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987589
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
trans-(1S,2S)-2-[[3-(cyclopentyloxymethyl)-4-[2-(difluoromethyl)-3-ethoxyphenyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 176716618
N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907748
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide (CID 176716581) is N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide is CCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CCCC2)c1C.
What is the InChIKey of N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The InChIKey is VUORRZMIFCESBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO2/c1-3-32-28-15-9-14-26(21(28)2)27-19-18-25(30-29(31)23-12-5-4-6-13-23)20-24(27)17-16-22-10-7-8-11-22/h9,14-15,18-20,22-23H,3-8,10-13,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide has a molecular weight of 433.64 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 176716581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).