N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide

C17H23N3O — CID 60733325

IUPACN-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
SMILESCC1CCCCC1N(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H23N3O/c1-13-7-3-6-10-16(13)20(2)12-17(21)19-15-9-5-4-8-14(15)11-18/h4-5,8-9,13,16H,3,6-7,10,12H2,1-2H3,(H,19,21)
InChIKeyHLMPQZHBGGEZOC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds4

About N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide

N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide (PubChem CID 60733325) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
PubChem CID60733325
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
SMILESCC1CCCCC1N(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H23N3O/c1-13-7-3-6-10-16(13)20(2)12-17(21)19-15-9-5-4-8-14(15)11-18/h4-5,8-9,13,16H,3,6-7,10,12H2,1-2H3,(H,19,21)
InChIKeyHLMPQZHBGGEZOC-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide (CID 60733325) is N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide is CC1CCCCC1N(C)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide?
The InChIKey is HLMPQZHBGGEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-7-3-6-10-16(13)20(2)12-17(21)19-15-9-5-4-8-14(15)11-18/h4-5,8-9,13,16H,3,6-7,10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide?
N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide is sourced from PubChem (CID 60733325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).