N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide

C19H26N2O — CID 141114717

IUPACN-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCC1(C(=O)Nc2cccc(C#N)c2)CCCCC1
InChIInChI=1S/C19H26N2O/c1-15(2)9-12-19(10-4-3-5-11-19)18(22)21-17-8-6-7-16(13-17)14-20/h6-8,13,15H,3-5,9-12H2,1-2H3,(H,21,22)
InChIKeyDHWCMJHUMSYZFJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.88
Rot. Bonds5

About N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide

N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 141114717) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID141114717
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCC1(C(=O)Nc2cccc(C#N)c2)CCCCC1
InChIInChI=1S/C19H26N2O/c1-15(2)9-12-19(10-4-3-5-11-19)18(22)21-17-8-6-7-16(13-17)14-20/h6-8,13,15H,3-5,9-12H2,1-2H3,(H,21,22)
InChIKeyDHWCMJHUMSYZFJ-UHFFFAOYSA-N
XLogP4.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
CID 141114710
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114307329
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide (CID 141114717) is N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCC1(C(=O)Nc2cccc(C#N)c2)CCCCC1.
What is the InChIKey of N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is DHWCMJHUMSYZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(2)9-12-19(10-4-3-5-11-19)18(22)21-17-8-6-7-16(13-17)14-20/h6-8,13,15H,3-5,9-12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide?
N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 141114717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).