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

C17H23N3O — CID 16577691

IUPACN-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(15-9-4-2-3-5-10-15)13-17(21)19-16-11-7-6-8-14(16)12-18/h6-8,11,15H,2-5,9-10,13H2,1H3,(H,19,21)
InChIKeyJSTNELQNUMGHPJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds4

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

N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide (PubChem CID 16577691) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
PubChem CID16577691
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(15-9-4-2-3-5-10-15)13-17(21)19-16-11-7-6-8-14(16)12-18/h6-8,11,15H,2-5,9-10,13H2,1H3,(H,19,21)
InChIKeyJSTNELQNUMGHPJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
CID 60733325
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide (CID 16577691) is N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccccc1C#N)C1CCCCCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
The InChIKey is JSTNELQNUMGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(15-9-4-2-3-5-10-15)13-17(21)19-16-11-7-6-8-14(16)12-18/h6-8,11,15H,2-5,9-10,13H2,1H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide?
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.15, 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-[cycloheptyl(methyl)amino]acetamide is sourced from PubChem (CID 16577691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).