N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide

C19H26N2O — CID 20814841

IUPACN-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide
SMILESCC(CC(=O)NCc1ccc(C#N)cc1)CC1CCCCC1
InChIInChI=1S/C19H26N2O/c1-15(11-16-5-3-2-4-6-16)12-19(22)21-14-18-9-7-17(13-20)8-10-18/h7-10,15-16H,2-6,11-12,14H2,1H3,(H,21,22)
InChIKeyUFNHMGCRICSXQY-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.17
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide

N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide (PubChem CID 20814841) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide
PubChem CID20814841
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide
SMILESCC(CC(=O)NCc1ccc(C#N)cc1)CC1CCCCC1
InChIInChI=1S/C19H26N2O/c1-15(11-16-5-3-2-4-6-16)12-19(22)21-14-18-9-7-17(13-20)8-10-18/h7-10,15-16H,2-6,11-12,14H2,1H3,(H,21,22)
InChIKeyUFNHMGCRICSXQY-UHFFFAOYSA-N
XLogP4.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-pyrrol-1-ylpyrimidin-4-yl)amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexylbutanamide
CID 20814562
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[(4-cyanophenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 134035362
1-[(4-cyanophenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 110957102
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
1-[(4-cyanophenyl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 111946674
N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
CID 173154239

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide (CID 20814841) is N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide is CC(CC(=O)NCc1ccc(C#N)cc1)CC1CCCCC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide?
The InChIKey is UFNHMGCRICSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(11-16-5-3-2-4-6-16)12-19(22)21-14-18-9-7-17(13-20)8-10-18/h7-10,15-16H,2-6,11-12,14H2,1H3,(H,21,22).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide?
N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide has a molecular weight of 298.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 20814841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).