3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione

C20H38N2O4 — CID 143079825

IUPAC3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCC(C)(C)CCOCCOCCC(C)(C)C)C1=O
InChIInChI=1S/C20H38N2O4/c1-7-21-16-17(23)22(18(21)24)11-8-20(5,6)10-13-26-15-14-25-12-9-19(2,3)4/h7-16H2,1-6H3
InChIKeyBKSCWSHRSMQGFE-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.55
Rot. Bonds12

About 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione

3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione (PubChem CID 143079825) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
PubChem CID143079825
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCC(C)(C)CCOCCOCCC(C)(C)C)C1=O
InChIInChI=1S/C20H38N2O4/c1-7-21-16-17(23)22(18(21)24)11-8-20(5,6)10-13-26-15-14-25-12-9-19(2,3)4/h7-16H2,1-6H3
InChIKeyBKSCWSHRSMQGFE-UHFFFAOYSA-N
XLogP3.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione (CID 143079825) is 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione is CCN1CC(=O)N(CCC(C)(C)CCOCCOCCC(C)(C)C)C1=O.
What is the InChIKey of 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione?
The InChIKey is BKSCWSHRSMQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-7-21-16-17(23)22(18(21)24)11-8-20(5,6)10-13-26-15-14-25-12-9-19(2,3)4/h7-16H2,1-6H3.
What are the key properties of 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione?
3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione has a molecular weight of 370.53 g/mol, XLogP of 3.55, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 143079825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).