N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide

C21H28N2O3 — CID 18663795

IUPACN-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc([C@]2(C#N)CCC[C@@H](NC(C)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C21H28N2O3/c1-15(24)23-17-6-5-11-21(13-17,14-22)16-9-10-19(25-2)20(12-16)26-18-7-3-4-8-18/h9-10,12,17-18H,3-8,11,13H2,1-2H3,(H,23,24)/t17-,21-/m1/s1
InChIKeyKJQANBHHCYLQKO-DYESRHJHSA-N
MW356.47 g/mol
LogP3.86
Rot. Bonds5

About N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide

N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide (PubChem CID 18663795) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
PubChem CID18663795
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc([C@]2(C#N)CCC[C@@H](NC(C)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C21H28N2O3/c1-15(24)23-17-6-5-11-21(13-17,14-22)16-9-10-19(25-2)20(12-16)26-18-7-3-4-8-18/h9-10,12,17-18H,3-8,11,13H2,1-2H3,(H,23,24)/t17-,21-/m1/s1
InChIKeyKJQANBHHCYLQKO-DYESRHJHSA-N
XLogP3.86
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]carbamate
CID 23223655
methyl N-[(1R,3R)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 18663793
methyl N-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 23223660
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
methyl 1-amino-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate
CID 56978038
methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylcyclohexene-1-carboxylate
CID 152635732
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-4-oxocyclohexane-1-carbonitrile;N,N-dimethylmethanamine
CID 142862995
1-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-1-hydroxyurea
CID 19973121
5-cyano-5-(3-cyclobutyloxy-4-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
CID 73081210
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
CID 15293880
3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylcyclohexane-1-carbonitrile
CID 57113965
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10200231

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide (CID 18663795) is N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide is COc1ccc([C@]2(C#N)CCC[C@@H](NC(C)=O)C2)cc1OC1CCCC1.
What is the InChIKey of N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide?
The InChIKey is KJQANBHHCYLQKO-DYESRHJHSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(24)23-17-6-5-11-21(13-17,14-22)16-9-10-19(25-2)20(12-16)26-18-7-3-4-8-18/h9-10,12,17-18H,3-8,11,13H2,1-2H3,(H,23,24)/t17-,21-/m1/s1.
What are the key properties of N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide?
N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 18663795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).