1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea

C14H26N2O2 — CID 71915996

IUPAC1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea
SMILESCCOCCC1(CNC(=O)NC2CC2C)CCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-8-7-14(5-4-6-14)10-15-13(17)16-12-9-11(12)2/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHXYDLIORXVQREA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.29
Rot. Bonds7

About 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea

1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea (PubChem CID 71915996) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea
PubChem CID71915996
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea
SMILESCCOCCC1(CNC(=O)NC2CC2C)CCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-8-7-14(5-4-6-14)10-15-13(17)16-12-9-11(12)2/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHXYDLIORXVQREA-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea (CID 71915996) is 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea is CCOCCC1(CNC(=O)NC2CC2C)CCC1.
What is the InChIKey of 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is HXYDLIORXVQREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-8-7-14(5-4-6-14)10-15-13(17)16-12-9-11(12)2/h11-12H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea?
1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 71915996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).