N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide

C13H22N2O — CID 63930209

IUPACN-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
SMILESCC(C)C(C#N)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H22N2O/c1-10(2)12(9-14)15-13(16)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyZZMQTESSIRKHOZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds5

About N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide

N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide (PubChem CID 63930209) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
PubChem CID63930209
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
SMILESCC(C)C(C#N)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H22N2O/c1-10(2)12(9-14)15-13(16)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyZZMQTESSIRKHOZ-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile
CID 61312594
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide (CID 63930209) is N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide is CC(C)C(C#N)NC(=O)CCC1CCCC1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide?
The InChIKey is ZZMQTESSIRKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)12(9-14)15-13(16)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide?
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 63930209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).