N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide

C12H20N2O — CID 61119984

IUPACN-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
SMILESCCC(C)(C#N)NC(=O)CC1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-12(2,9-13)14-11(15)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyYACZVGVJYSCLNL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide

N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide (PubChem CID 61119984) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
PubChem CID61119984
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
SMILESCCC(C)(C#N)NC(=O)CC1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-12(2,9-13)14-11(15)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyYACZVGVJYSCLNL-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide (CID 61119984) is N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide is CCC(C)(C#N)NC(=O)CC1CCCC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide?
The InChIKey is YACZVGVJYSCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(2,9-13)14-11(15)8-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide?
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide has a molecular weight of 208.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 61119984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).