N-pentylheptanamide

C12H25NO — CID 3049494

IUPACN-pentylheptanamide
SMILESCCCCCCC(=O)NCCCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyGUDYPJBECYDZAH-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.26
Rot. Bonds9

About N-pentylheptanamide

N-pentylheptanamide (PubChem CID 3049494) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-pentylheptanamide.

Molecular Properties

Compound NameN-pentylheptanamide
PubChem CID3049494
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-pentylheptanamide
SMILESCCCCCCC(=O)NCCCCC
InChIInChI=1S/C12H25NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyGUDYPJBECYDZAH-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.26
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 N-pentylheptanamide?
The IUPAC name of N-pentylheptanamide (CID 3049494) is N-pentylheptanamide.
What is the SMILES notation for N-pentylheptanamide?
The canonical SMILES for N-pentylheptanamide is CCCCCCC(=O)NCCCCC.
What is the InChIKey of N-pentylheptanamide?
The InChIKey is GUDYPJBECYDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of N-pentylheptanamide?
N-pentylheptanamide has a molecular weight of 199.34 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylheptanamide is sourced from PubChem (CID 3049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).