N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide

C14H24N2O — CID 115270253

IUPACN-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCC(CC#N)CC1
InChIInChI=1S/C14H24N2O/c1-3-12(4-2)14(17)16-13-7-5-11(6-8-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyXEOHZFFURMHFJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide

N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide (PubChem CID 115270253) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
PubChem CID115270253
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCC(CC#N)CC1
InChIInChI=1S/C14H24N2O/c1-3-12(4-2)14(17)16-13-7-5-11(6-8-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyXEOHZFFURMHFJF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-ethylbutanamide
CID 5151098
N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
CID 116817135
N-(3-aminocyclopentyl)-2-ethylbutanamide
CID 115267780
N-(4-bromocyclohexyl)-2-ethylbutanamide
CID 114309036
2-ethyl-N-[4-(ethylamino)cyclohexyl]butanamide
CID 43653291
N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
CID 116817146
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
5-amino-N-cyclopropyl-2-ethylpentanamide
CID 112515117
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
CID 115270262
2-ethyl-N-(1-pentanoylpiperidin-4-yl)butanamide
CID 110819505
N-cyclobutyl-2-(methylaminomethyl)butanamide
CID 115188777
2-[4-(cyanomethyl)cyclohexyl]acetic acid
CID 10749914

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide (CID 115270253) is N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCC(CC#N)CC1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide?
The InChIKey is XEOHZFFURMHFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12(4-2)14(17)16-13-7-5-11(6-8-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide?
N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide is sourced from PubChem (CID 115270253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).