1,3-dioctylimidazolidin-2-one

C19H38N2O — CID 19987667

IUPAC1,3-dioctylimidazolidin-2-one
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1=O
InChIInChI=1S/C19H38N2O/c1-3-5-7-9-11-13-15-20-17-18-21(19(20)22)16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyDHVYGKCILZFTQE-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.45
Rot. Bonds14

About 1,3-dioctylimidazolidin-2-one

1,3-dioctylimidazolidin-2-one (PubChem CID 19987667) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1,3-dioctylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-dioctylimidazolidin-2-one
PubChem CID19987667
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1,3-dioctylimidazolidin-2-one
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1=O
InChIInChI=1S/C19H38N2O/c1-3-5-7-9-11-13-15-20-17-18-21(19(20)22)16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyDHVYGKCILZFTQE-UHFFFAOYSA-N
XLogP5.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibutylimidazolidin-2-one
CID 20887
1-decyl-3-hydroxy-1,3-diazinan-2-one
CID 15675482
N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
CID 3033979
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione
CID 541282
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride
CID 19711294

Frequently Asked Questions

What is the IUPAC name of 1,3-dioctylimidazolidin-2-one?
The IUPAC name of 1,3-dioctylimidazolidin-2-one (CID 19987667) is 1,3-dioctylimidazolidin-2-one.
What is the SMILES notation for 1,3-dioctylimidazolidin-2-one?
The canonical SMILES for 1,3-dioctylimidazolidin-2-one is CCCCCCCCN1CCN(CCCCCCCC)C1=O.
What is the InChIKey of 1,3-dioctylimidazolidin-2-one?
The InChIKey is DHVYGKCILZFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-3-5-7-9-11-13-15-20-17-18-21(19(20)22)16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1,3-dioctylimidazolidin-2-one?
1,3-dioctylimidazolidin-2-one has a molecular weight of 310.53 g/mol, XLogP of 5.45, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioctylimidazolidin-2-one is sourced from PubChem (CID 19987667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).