N-(5-oxooctyl)-7-(propylamino)heptanamide

C18H36N2O2 — CID 59091179

IUPACN-(5-oxooctyl)-7-(propylamino)heptanamide
SMILESCCCNCCCCCCC(=O)NCCCCC(=O)CCC
InChIInChI=1S/C18H36N2O2/c1-3-11-17(21)12-8-10-16-20-18(22)13-7-5-6-9-15-19-14-4-2/h19H,3-16H2,1-2H3,(H,20,22)
InChIKeyIYQLQMUTWQZZNO-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.59
Rot. Bonds16

About N-(5-oxooctyl)-7-(propylamino)heptanamide

N-(5-oxooctyl)-7-(propylamino)heptanamide (PubChem CID 59091179) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-(5-oxooctyl)-7-(propylamino)heptanamide.

Molecular Properties

Compound NameN-(5-oxooctyl)-7-(propylamino)heptanamide
PubChem CID59091179
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-(5-oxooctyl)-7-(propylamino)heptanamide
SMILESCCCNCCCCCCC(=O)NCCCCC(=O)CCC
InChIInChI=1S/C18H36N2O2/c1-3-11-17(21)12-8-10-16-20-18(22)13-7-5-6-9-15-19-14-4-2/h19H,3-16H2,1-2H3,(H,20,22)
InChIKeyIYQLQMUTWQZZNO-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
CID 23394473
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
N-(8-oxotridecyl)hexanamide
CID 148531467
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
CID 58040564
(Z)-N-[3-[[(Z)-10-oxoheptacos-18-enyl]amino]propyl]octadec-9-enamide
CID 149363238
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-(5-oxooctyl)-7-(propylamino)heptanamide?
The IUPAC name of N-(5-oxooctyl)-7-(propylamino)heptanamide (CID 59091179) is N-(5-oxooctyl)-7-(propylamino)heptanamide.
What is the SMILES notation for N-(5-oxooctyl)-7-(propylamino)heptanamide?
The canonical SMILES for N-(5-oxooctyl)-7-(propylamino)heptanamide is CCCNCCCCCCC(=O)NCCCCC(=O)CCC.
What is the InChIKey of N-(5-oxooctyl)-7-(propylamino)heptanamide?
The InChIKey is IYQLQMUTWQZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-11-17(21)12-8-10-16-20-18(22)13-7-5-6-9-15-19-14-4-2/h19H,3-16H2,1-2H3,(H,20,22).
What are the key properties of N-(5-oxooctyl)-7-(propylamino)heptanamide?
N-(5-oxooctyl)-7-(propylamino)heptanamide has a molecular weight of 312.50 g/mol, XLogP of 3.59, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxooctyl)-7-(propylamino)heptanamide is sourced from PubChem (CID 59091179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).