15-propyl-1,4-diazacyclopentadec-9-en-5-one

C16H30N2O — CID 78011019

IUPAC15-propyl-1,4-diazacyclopentadec-9-en-5-one
SMILESCCCC1CCCCC=CCCCC(=O)NCCN1
InChIInChI=1S/C16H30N2O/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(19)18-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3,(H,18,19)
InChIKeyHYFMISYJRWZPGF-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.16
Rot. Bonds2

About 15-propyl-1,4-diazacyclopentadec-9-en-5-one

15-propyl-1,4-diazacyclopentadec-9-en-5-one (PubChem CID 78011019) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 15-propyl-1,4-diazacyclopentadec-9-en-5-one.

Molecular Properties

Compound Name15-propyl-1,4-diazacyclopentadec-9-en-5-one
PubChem CID78011019
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name15-propyl-1,4-diazacyclopentadec-9-en-5-one
SMILESCCCC1CCCCC=CCCCC(=O)NCCN1
InChIInChI=1S/C16H30N2O/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(19)18-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3,(H,18,19)
InChIKeyHYFMISYJRWZPGF-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Arachidonylcyclopropylamide
CID 5311007
N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Stearyl erucamide
CID 6436363
N-propyl arachidonoyl amine
CID 5283394
Linoleamidopropyl Dimethylamine
CID 16745071
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
Ethylene dioleamide
CID 6436065
N-ethyl arachidonoyl amine
CID 5283391
N-isopropyl arachidonoyl amine
CID 5283395
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377

Frequently Asked Questions

What is the IUPAC name of 15-propyl-1,4-diazacyclopentadec-9-en-5-one?
The IUPAC name of 15-propyl-1,4-diazacyclopentadec-9-en-5-one (CID 78011019) is 15-propyl-1,4-diazacyclopentadec-9-en-5-one.
What is the SMILES notation for 15-propyl-1,4-diazacyclopentadec-9-en-5-one?
The canonical SMILES for 15-propyl-1,4-diazacyclopentadec-9-en-5-one is CCCC1CCCCC=CCCCC(=O)NCCN1.
What is the InChIKey of 15-propyl-1,4-diazacyclopentadec-9-en-5-one?
The InChIKey is HYFMISYJRWZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(19)18-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3,(H,18,19).
What are the key properties of 15-propyl-1,4-diazacyclopentadec-9-en-5-one?
15-propyl-1,4-diazacyclopentadec-9-en-5-one has a molecular weight of 266.43 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propyl-1,4-diazacyclopentadec-9-en-5-one is sourced from PubChem (CID 78011019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).