N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide

C14H24N2O — CID 61120227

IUPACN-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
SMILESCCC(C#N)(CC)NC(=O)CC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyMTDNZPIBNUPXFV-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.16
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide

N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide (PubChem CID 61120227) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
PubChem CID61120227
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
SMILESCCC(C#N)(CC)NC(=O)CC1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyMTDNZPIBNUPXFV-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide
CID 65018271
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
CID 143903152
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
N-(3-cyanopentan-3-yl)-3-methylbutanamide
CID 61121009
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide (CID 61120227) is N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide is CCC(C#N)(CC)NC(=O)CC1CCCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide?
The InChIKey is MTDNZPIBNUPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide?
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide has a molecular weight of 236.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 61120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).