2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide

C13H22N2O — CID 55207756

IUPAC2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1CCCC1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2,10-14)12(16)15-9-11-7-5-6-8-11/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyIMCCXIKBCRVBPN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds5

About 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide

2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide (PubChem CID 55207756) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
PubChem CID55207756
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1CCCC1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2,10-14)12(16)15-9-11-7-5-6-8-11/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyIMCCXIKBCRVBPN-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

(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-2-ethyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296193
2-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]-2-ethylbutanamide
CID 62132151
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
1-cyano-N-(cyclohexylmethyl)formamide
CID 115172259
2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
CID 55068978
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 113406233
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide (CID 55207756) is 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NCC1CCCC1.
What is the InChIKey of 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide?
The InChIKey is IMCCXIKBCRVBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-13(4-2,10-14)12(16)15-9-11-7-5-6-8-11/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide?
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide 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 2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide is sourced from PubChem (CID 55207756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).