N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide

C17H23N3O — CID 51183021

IUPACN-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C17H23N3O/c1-13-6-7-15(14(2)10-13)19-11-16(21)20-17(12-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyLLNWMUFRQYTNMX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide

N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide (PubChem CID 51183021) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
PubChem CID51183021
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C17H23N3O/c1-13-6-7-15(14(2)10-13)19-11-16(21)20-17(12-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21)
InChIKeyLLNWMUFRQYTNMX-UHFFFAOYSA-N
XLogP3.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 87017526
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676041
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide (CID 51183021) is N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NC2(C#N)CCCCC2)c(C)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide?
The InChIKey is LLNWMUFRQYTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-6-7-15(14(2)10-13)19-11-16(21)20-17(12-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide?
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 51183021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).