N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide

C23H28N4O — CID 9104665

IUPACN-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
SMILESCN(Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C23H28N4O/c1-27(21-11-3-2-4-12-21)17-19-9-5-6-13-22(19)25-16-23(28)26-20-10-7-8-18(14-20)15-24/h5-10,13-14,21,25H,2-4,11-12,16-17H2,1H3,(H,26,28)
InChIKeyMVWFPSIVDHMABR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.37
Rot. Bonds7

About N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide

N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide (PubChem CID 9104665) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
PubChem CID9104665
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
SMILESCN(Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C23H28N4O/c1-27(21-11-3-2-4-12-21)17-19-9-5-6-13-22(19)25-16-23(28)26-20-10-7-8-18(14-20)15-24/h5-10,13-14,21,25H,2-4,11-12,16-17H2,1H3,(H,26,28)
InChIKeyMVWFPSIVDHMABR-UHFFFAOYSA-N
XLogP4.37
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
CID 41391031
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 47063880
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide (CID 9104665) is N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide is CN(Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide?
The InChIKey is MVWFPSIVDHMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-27(21-11-3-2-4-12-21)17-19-9-5-6-13-22(19)25-16-23(28)26-20-10-7-8-18(14-20)15-24/h5-10,13-14,21,25H,2-4,11-12,16-17H2,1H3,(H,26,28).
What are the key properties of N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide?
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide is sourced from PubChem (CID 9104665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).