3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione

C22H43N3O2 — CID 101158844

IUPAC3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione
SMILESCCCCCCCCCCC1C(=O)N(CCCCN)C(=O)N1CC(C)(C)C
InChIInChI=1S/C22H43N3O2/c1-5-6-7-8-9-10-11-12-15-19-20(26)24(17-14-13-16-23)21(27)25(19)18-22(2,3)4/h19H,5-18,23H2,1-4H3
InChIKeyDKOWEDMUCXYGCA-UHFFFAOYSA-N
MW381.61 g/mol
LogP4.93
Rot. Bonds14

About 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione

3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione (PubChem CID 101158844) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione
PubChem CID101158844
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC Name3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione
SMILESCCCCCCCCCCC1C(=O)N(CCCCN)C(=O)N1CC(C)(C)C
InChIInChI=1S/C22H43N3O2/c1-5-6-7-8-9-10-11-12-15-19-20(26)24(17-14-13-16-23)21(27)25(19)18-22(2,3)4/h19H,5-18,23H2,1-4H3
InChIKeyDKOWEDMUCXYGCA-UHFFFAOYSA-N
XLogP4.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-heptylaziridin-2-one
CID 23178730
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
3-(2-hexadecyl-3-oxoaziridin-1-yl)propyl octadecanoate
CID 58794732
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
5-diethoxyphosphoryl-1,3-dihexylimidazolidine-2,4-dione
CID 86747818
3-butyl-1-ethylaziridin-2-one
CID 18006250
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione (CID 101158844) is 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione is CCCCCCCCCCC1C(=O)N(CCCCN)C(=O)N1CC(C)(C)C.
What is the InChIKey of 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione?
The InChIKey is DKOWEDMUCXYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O2/c1-5-6-7-8-9-10-11-12-15-19-20(26)24(17-14-13-16-23)21(27)25(19)18-22(2,3)4/h19H,5-18,23H2,1-4H3.
What are the key properties of 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione?
3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione has a molecular weight of 381.61 g/mol, XLogP of 4.93, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-5-decyl-1-(2,2-dimethylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 101158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).