N-heptyl-2-propylpentanamide

C15H31NO — CID 3032193

IUPACN-heptyl-2-propylpentanamide
SMILESCCCCCCCNC(=O)C(CCC)CCC
InChIInChI=1S/C15H31NO/c1-4-7-8-9-10-13-16-15(17)14(11-5-2)12-6-3/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeySXEHSBSKNVSDAR-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.29
Rot. Bonds11

About N-heptyl-2-propylpentanamide

N-heptyl-2-propylpentanamide (PubChem CID 3032193) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-heptyl-2-propylpentanamide.

Molecular Properties

Compound NameN-heptyl-2-propylpentanamide
PubChem CID3032193
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-heptyl-2-propylpentanamide
SMILESCCCCCCCNC(=O)C(CCC)CCC
InChIInChI=1S/C15H31NO/c1-4-7-8-9-10-13-16-15(17)14(11-5-2)12-6-3/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeySXEHSBSKNVSDAR-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.29
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-heptyl-2-propylpentanamide?
The IUPAC name of N-heptyl-2-propylpentanamide (CID 3032193) is N-heptyl-2-propylpentanamide.
What is the SMILES notation for N-heptyl-2-propylpentanamide?
The canonical SMILES for N-heptyl-2-propylpentanamide is CCCCCCCNC(=O)C(CCC)CCC.
What is the InChIKey of N-heptyl-2-propylpentanamide?
The InChIKey is SXEHSBSKNVSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-8-9-10-13-16-15(17)14(11-5-2)12-6-3/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-heptyl-2-propylpentanamide?
N-heptyl-2-propylpentanamide has a molecular weight of 241.42 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-propylpentanamide is sourced from PubChem (CID 3032193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).