3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane

C17H27N3O2 — CID 142089489

IUPAC3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane
SMILESCC.CC1(C)NC(=O)N(CC(N)CCc2ccccc2)C1=O
InChIInChI=1S/C15H21N3O2.C2H6/c1-15(2)13(19)18(14(20)17-15)10-12(16)9-8-11-6-4-3-5-7-11;1-2/h3-7,12H,8-10,16H2,1-2H3,(H,17,20);1-2H3
InChIKeyLSDDQCPQWCRIIE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.30
Rot. Bonds5

About 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane

3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane (PubChem CID 142089489) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane.

Molecular Properties

Compound Name3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane
PubChem CID142089489
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane
SMILESCC.CC1(C)NC(=O)N(CC(N)CCc2ccccc2)C1=O
InChIInChI=1S/C15H21N3O2.C2H6/c1-15(2)13(19)18(14(20)17-15)10-12(16)9-8-11-6-4-3-5-7-11;1-2/h3-7,12H,8-10,16H2,1-2H3,(H,17,20);1-2H3
InChIKeyLSDDQCPQWCRIIE-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
CID 21238567
3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 101178069
3-[2-(bromomethyl)-3-methylbutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 65011693
3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 40593052
3-[2-[benzyl(furan-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185684
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]-3-(2-phenylethyl)thiourea
CID 9053941
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
(3R)-1-phenylhexan-3-amine
CID 66612996
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane?
The IUPAC name of 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane (CID 142089489) is 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane.
What is the SMILES notation for 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane?
The canonical SMILES for 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane is CC.CC1(C)NC(=O)N(CC(N)CCc2ccccc2)C1=O.
What is the InChIKey of 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane?
The InChIKey is LSDDQCPQWCRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.C2H6/c1-15(2)13(19)18(14(20)17-15)10-12(16)9-8-11-6-4-3-5-7-11;1-2/h3-7,12H,8-10,16H2,1-2H3,(H,17,20);1-2H3.
What are the key properties of 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane?
3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane has a molecular weight of 305.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane is sourced from PubChem (CID 142089489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).