N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide

C16H18N4O — CID 104918996

IUPACN-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCCC2)cc1C#N
InChIInChI=1S/C16H18N4O/c17-9-12-6-7-15(8-13(12)10-18)19-11-16(21)20-14-4-2-1-3-5-14/h6-8,14,19H,1-5,11H2,(H,20,21)
InChIKeyWTUQAGFMMFNOKT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds4

About N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide

N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide (PubChem CID 104918996) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
PubChem CID104918996
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCCC2)cc1C#N
InChIInChI=1S/C16H18N4O/c17-9-12-6-7-15(8-13(12)10-18)19-11-16(21)20-14-4-2-1-3-5-14/h6-8,14,19H,1-5,11H2,(H,20,21)
InChIKeyWTUQAGFMMFNOKT-UHFFFAOYSA-N
XLogP2.29
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-N-cyclopropylacetamide
CID 51088495
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide
CID 127267996

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide (CID 104918996) is N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide is N#Cc1ccc(NCC(=O)NC2CCCCC2)cc1C#N.
What is the InChIKey of N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide?
The InChIKey is WTUQAGFMMFNOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-12-6-7-15(8-13(12)10-18)19-11-16(21)20-14-4-2-1-3-5-14/h6-8,14,19H,1-5,11H2,(H,20,21).
What are the key properties of N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide?
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide is sourced from PubChem (CID 104918996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).