2,2-dimethyl-N-pentylbutanamide

C11H23NO — CID 4629531

IUPAC2,2-dimethyl-N-pentylbutanamide
SMILESCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-12-10(13)11(3,4)6-2/h5-9H2,1-4H3,(H,12,13)
InChIKeyVXFURJUHKQZABY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.73
Rot. Bonds6

About 2,2-dimethyl-N-pentylbutanamide

2,2-dimethyl-N-pentylbutanamide (PubChem CID 4629531) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-pentylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-pentylbutanamide
PubChem CID4629531
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2-dimethyl-N-pentylbutanamide
SMILESCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-12-10(13)11(3,4)6-2/h5-9H2,1-4H3,(H,12,13)
InChIKeyVXFURJUHKQZABY-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 2,2-dimethyl-N-pentylbutanamide?
The IUPAC name of 2,2-dimethyl-N-pentylbutanamide (CID 4629531) is 2,2-dimethyl-N-pentylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-pentylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-pentylbutanamide is CCCCCNC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-pentylbutanamide?
The InChIKey is VXFURJUHKQZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-8-9-12-10(13)11(3,4)6-2/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-pentylbutanamide?
2,2-dimethyl-N-pentylbutanamide has a molecular weight of 185.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pentylbutanamide is sourced from PubChem (CID 4629531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).