3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide

C21H43N3O2 — CID 58040564

IUPAC3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
SMILESCCCCC(=O)CCCCCNCCCCCNCCC(=O)NCCC
InChIInChI=1S/C21H43N3O2/c1-3-5-12-20(25)13-8-6-9-16-22-17-10-7-11-18-23-19-14-21(26)24-15-4-2/h22-23H,3-19H2,1-2H3,(H,24,26)
InChIKeyVQXFGZRZVNFKOA-UHFFFAOYSA-N
MW369.59 g/mol
LogP3.57
Rot. Bonds20

About 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide

3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide (PubChem CID 58040564) has the molecular formula C21H43N3O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
PubChem CID58040564
Molecular FormulaC21H43N3O2
Molecular Weight369.59 g/mol
Exact Mass369.34
IUPAC Name3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
SMILESCCCCC(=O)CCCCCNCCCCCNCCC(=O)NCCC
InChIInChI=1S/C21H43N3O2/c1-3-5-12-20(25)13-8-6-9-16-22-17-10-7-11-18-23-19-14-21(26)24-15-4-2/h22-23H,3-19H2,1-2H3,(H,24,26)
InChIKeyVQXFGZRZVNFKOA-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
1-[2-aminoethyl-[2-(propylamino)ethyl]amino]heptan-3-one;3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide;N-propyl-3-[5-(propylamino)pentylamino]propanamide
CID 159753035
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
N-(8-oxotridecyl)hexanamide
CID 148531467
(Z)-N-[3-[[(Z)-10-oxoheptacos-18-enyl]amino]propyl]octadec-9-enamide
CID 149363238
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
N,N'-dipropyldecanediamide
CID 102239298
8-oxo-N-propyldecanamide
CID 156819961
ethane;N-propylheptanamide
CID 145289188

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide?
The IUPAC name of 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide (CID 58040564) is 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide?
The canonical SMILES for 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide is CCCCC(=O)CCCCCNCCCCCNCCC(=O)NCCC.
What is the InChIKey of 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide?
The InChIKey is VQXFGZRZVNFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O2/c1-3-5-12-20(25)13-8-6-9-16-22-17-10-7-11-18-23-19-14-21(26)24-15-4-2/h22-23H,3-19H2,1-2H3,(H,24,26).
What are the key properties of 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide?
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide has a molecular weight of 369.59 g/mol, XLogP of 3.57, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide is sourced from PubChem (CID 58040564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).