N-butan-2-yl-N-butylcyclopentanecarboxamide

C14H27NO — CID 78858442

IUPACN-butan-2-yl-N-butylcyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(C)CC
InChIInChI=1S/C14H27NO/c1-4-6-11-15(12(3)5-2)14(16)13-9-7-8-10-13/h12-13H,4-11H2,1-3H3
InChIKeyISUCKSWOFYANNF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.60
Rot. Bonds6

About N-butan-2-yl-N-butylcyclopentanecarboxamide

N-butan-2-yl-N-butylcyclopentanecarboxamide (PubChem CID 78858442) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-butan-2-yl-N-butylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butylcyclopentanecarboxamide
PubChem CID78858442
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-butan-2-yl-N-butylcyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(C)CC
InChIInChI=1S/C14H27NO/c1-4-6-11-15(12(3)5-2)14(16)13-9-7-8-10-13/h12-13H,4-11H2,1-3H3
InChIKeyISUCKSWOFYANNF-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butan-2-yl-N-butylcyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butylcyclopentanecarboxamide?
The IUPAC name of N-butan-2-yl-N-butylcyclopentanecarboxamide (CID 78858442) is N-butan-2-yl-N-butylcyclopentanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-butylcyclopentanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-butylcyclopentanecarboxamide is CCCCN(C(=O)C1CCCC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butylcyclopentanecarboxamide?
The InChIKey is ISUCKSWOFYANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-11-15(12(3)5-2)14(16)13-9-7-8-10-13/h12-13H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butylcyclopentanecarboxamide?
N-butan-2-yl-N-butylcyclopentanecarboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butylcyclopentanecarboxamide is sourced from PubChem (CID 78858442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).