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

C27H35NO2 — CID 176716608

IUPACN-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CC2)c1C
InChIInChI=1S/C27H35NO2/c1-3-30-26-11-7-10-24(19(26)2)25-17-16-23(18-22(25)15-14-20-12-13-20)28-27(29)21-8-5-4-6-9-21/h7,10-11,16-18,20-21H,3-6,8-9,12-15H2,1-2H3,(H,28,29)
InChIKeyWKXPCLRKBFCVCJ-UHFFFAOYSA-N
MW405.58 g/mol
LogP6.92
Rot. Bonds8

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

N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide (PubChem CID 176716608) has the molecular formula C27H35NO2 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
PubChem CID176716608
Molecular FormulaC27H35NO2
Molecular Weight405.58 g/mol
Exact Mass405.27
IUPAC NameN-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CC2)c1C
InChIInChI=1S/C27H35NO2/c1-3-30-26-11-7-10-24(19(26)2)25-17-16-23(18-22(25)15-14-20-12-13-20)28-27(29)21-8-5-4-6-9-21/h7,10-11,16-18,20-21H,3-6,8-9,12-15H2,1-2H3,(H,28,29)
InChIKeyWKXPCLRKBFCVCJ-UHFFFAOYSA-N
XLogP6.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide
CID 176716581
CID 176716568
CID 176716568
2-[[3-(2-cyclopentylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 176716671
(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
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide (CID 176716608) is N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide is CCOc1cccc(-c2ccc(NC(=O)C3CCCCC3)cc2CCC2CC2)c1C.
What is the InChIKey of N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
The InChIKey is WKXPCLRKBFCVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO2/c1-3-30-26-11-7-10-24(19(26)2)25-17-16-23(18-22(25)15-14-20-12-13-20)28-27(29)21-8-5-4-6-9-21/h7,10-11,16-18,20-21H,3-6,8-9,12-15H2,1-2H3,(H,28,29).
What are the key properties of N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide?
N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide has a molecular weight of 405.58 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropylethyl)-4-(3-ethoxy-2-methylphenyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 176716608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).