N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide

C21H31NO3 — CID 133246808

IUPACN-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC(C)C1
InChIInChI=1S/C21H31NO3/c1-3-24-21(14-6-7-16(2)15-21)20(23)22-17-10-12-19(13-11-17)25-18-8-4-5-9-18/h10-13,16,18H,3-9,14-15H2,1-2H3,(H,22,23)
InChIKeyIVGVRMKGBFBNJK-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.93
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide

N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 133246808) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
PubChem CID133246808
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC NameN-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC(C)C1
InChIInChI=1S/C21H31NO3/c1-3-24-21(14-6-7-16(2)15-21)20(23)22-17-10-12-19(13-11-17)25-18-8-4-5-9-18/h10-13,16,18H,3-9,14-15H2,1-2H3,(H,22,23)
InChIKeyIVGVRMKGBFBNJK-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100705713
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100732389
N-[4-[2-(diethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246817
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100732660
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100732921
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100777074
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide (CID 133246808) is N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC(C)C1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is IVGVRMKGBFBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-3-24-21(14-6-7-16(2)15-21)20(23)22-17-10-12-19(13-11-17)25-18-8-4-5-9-18/h10-13,16,18H,3-9,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 345.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 133246808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).