3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide

C20H27N3O — CID 136552584

IUPAC3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C20H27N3O/c21-14-17-11-13-23(15-17)20(24)22-12-10-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-13,15H2,(H,22,24)
InChIKeyNUEYDRYNVPOOPL-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.83
Rot. Bonds4

About 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide

3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 136552584) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID136552584
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C20H27N3O/c21-14-17-11-13-23(15-17)20(24)22-12-10-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-13,15H2,(H,22,24)
InChIKeyNUEYDRYNVPOOPL-UHFFFAOYSA-N
XLogP3.83
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate
CID 142044070
4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 48957771
N-[(4-cyclohexylphenyl)methyl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 128683674
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 126454471
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126452602
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide (CID 136552584) is 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide is N#CC1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is NUEYDRYNVPOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c21-14-17-11-13-23(15-17)20(24)22-12-10-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-13,15H2,(H,22,24).
What are the key properties of 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide?
3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136552584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).