5-amino-N-[5-(propanoylamino)pentyl]pentanamide

C13H27N3O2 — CID 170966361

IUPAC5-amino-N-[5-(propanoylamino)pentyl]pentanamide
SMILESCCC(=O)NCCCCCNC(=O)CCCCN
InChIInChI=1S/C13H27N3O2/c1-2-12(17)15-10-6-3-7-11-16-13(18)8-4-5-9-14/h2-11,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyNNCFOFQELDWPIE-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.93
Rot. Bonds11

About 5-amino-N-[5-(propanoylamino)pentyl]pentanamide

5-amino-N-[5-(propanoylamino)pentyl]pentanamide (PubChem CID 170966361) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-amino-N-[5-(propanoylamino)pentyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[5-(propanoylamino)pentyl]pentanamide
PubChem CID170966361
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name5-amino-N-[5-(propanoylamino)pentyl]pentanamide
SMILESCCC(=O)NCCCCCNC(=O)CCCCN
InChIInChI=1S/C13H27N3O2/c1-2-12(17)15-10-6-3-7-11-16-13(18)8-4-5-9-14/h2-11,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyNNCFOFQELDWPIE-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-[5-(propanoylamino)pentyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(propanoylamino)pentyl]pentanamide?
The IUPAC name of 5-amino-N-[5-(propanoylamino)pentyl]pentanamide (CID 170966361) is 5-amino-N-[5-(propanoylamino)pentyl]pentanamide.
What is the SMILES notation for 5-amino-N-[5-(propanoylamino)pentyl]pentanamide?
The canonical SMILES for 5-amino-N-[5-(propanoylamino)pentyl]pentanamide is CCC(=O)NCCCCCNC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[5-(propanoylamino)pentyl]pentanamide?
The InChIKey is NNCFOFQELDWPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-12(17)15-10-6-3-7-11-16-13(18)8-4-5-9-14/h2-11,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-amino-N-[5-(propanoylamino)pentyl]pentanamide?
5-amino-N-[5-(propanoylamino)pentyl]pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.93, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(propanoylamino)pentyl]pentanamide is sourced from PubChem (CID 170966361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).