2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide

C16H21N3O — CID 62059710

IUPAC2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
SMILESCc1ccc(C#N)cc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O/c1-12-7-8-13(10-17)9-15(12)18-11-16(20)19-14-5-3-2-4-6-14/h7-9,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyIBVVYSBIDLPZIC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds4

About 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide

2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide (PubChem CID 62059710) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
PubChem CID62059710
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
SMILESCc1ccc(C#N)cc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O/c1-12-7-8-13(10-17)9-15(12)18-11-16(20)19-14-5-3-2-4-6-14/h7-9,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyIBVVYSBIDLPZIC-UHFFFAOYSA-N
XLogP2.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
CID 107807783
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide (CID 62059710) is 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide is Cc1ccc(C#N)cc1NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide?
The InChIKey is IBVVYSBIDLPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-7-8-13(10-17)9-15(12)18-11-16(20)19-14-5-3-2-4-6-14/h7-9,14,18H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide?
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 62059710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).