2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide

C19H38N2O2 — CID 10245847

IUPAC2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCCNC(=O)C(CCC)CCC
InChIInChI=1S/C19H38N2O2/c1-5-10-16(11-6-2)18(22)20-14-9-15-21-19(23)17(12-7-3)13-8-4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUVKMFKKUUNDYDW-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.04
Rot. Bonds14

About 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide

2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide (PubChem CID 10245847) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide
PubChem CID10245847
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCCNC(=O)C(CCC)CCC
InChIInChI=1S/C19H38N2O2/c1-5-10-16(11-6-2)18(22)20-14-9-15-21-19(23)17(12-7-3)13-8-4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUVKMFKKUUNDYDW-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide?
The IUPAC name of 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide (CID 10245847) is 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide?
The canonical SMILES for 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide is CCCC(CCC)C(=O)NCCCNC(=O)C(CCC)CCC.
What is the InChIKey of 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide?
The InChIKey is UVKMFKKUUNDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-5-10-16(11-6-2)18(22)20-14-9-15-21-19(23)17(12-7-3)13-8-4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide?
2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide has a molecular weight of 326.53 g/mol, XLogP of 4.04, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[3-(2-propylpentanoylamino)propyl]pentanamide is sourced from PubChem (CID 10245847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).