N-butyl-N-pentylacetamide

C11H23NO — CID 59584177

IUPACN-butyl-N-pentylacetamide
SMILESCCCCCN(CCCC)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-6-8-10-12(11(3)13)9-7-5-2/h4-10H2,1-3H3
InChIKeyLDFFOFNDFZWNCD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.83
Rot. Bonds7

About N-butyl-N-pentylacetamide

N-butyl-N-pentylacetamide (PubChem CID 59584177) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-N-pentylacetamide.

Molecular Properties

Compound NameN-butyl-N-pentylacetamide
PubChem CID59584177
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-N-pentylacetamide
SMILESCCCCCN(CCCC)C(C)=O
InChIInChI=1S/C11H23NO/c1-4-6-8-10-12(11(3)13)9-7-5-2/h4-10H2,1-3H3
InChIKeyLDFFOFNDFZWNCD-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-pentylacetamide?
The IUPAC name of N-butyl-N-pentylacetamide (CID 59584177) is N-butyl-N-pentylacetamide.
What is the SMILES notation for N-butyl-N-pentylacetamide?
The canonical SMILES for N-butyl-N-pentylacetamide is CCCCCN(CCCC)C(C)=O.
What is the InChIKey of N-butyl-N-pentylacetamide?
The InChIKey is LDFFOFNDFZWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-8-10-12(11(3)13)9-7-5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-pentylacetamide?
N-butyl-N-pentylacetamide has a molecular weight of 185.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-pentylacetamide is sourced from PubChem (CID 59584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).