1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

C13H26N2O3 — CID 71985725

IUPAC1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCCOCCNC(=O)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-6-18-8-7-14-11(16)15-10-9-13(4,17-5)12(10,2)3/h10H,6-9H2,1-5H3,(H2,14,15,16)
InChIKeyRAOYYWATJAQXJV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.53
Rot. Bonds6

About 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (PubChem CID 71985725) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
PubChem CID71985725
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCCOCCNC(=O)NC1CC(C)(OC)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-6-18-8-7-14-11(16)15-10-9-13(4,17-5)12(10,2)3/h10H,6-9H2,1-5H3,(H2,14,15,16)
InChIKeyRAOYYWATJAQXJV-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (CID 71985725) is 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is CCOCCNC(=O)NC1CC(C)(OC)C1(C)C.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The InChIKey is RAOYYWATJAQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-18-8-7-14-11(16)15-10-9-13(4,17-5)12(10,2)3/h10H,6-9H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea has a molecular weight of 258.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is sourced from PubChem (CID 71985725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).