1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea

C13H24N2O2 — CID 122136539

IUPAC1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NCC1(OC)CCC1
InChIInChI=1S/C13H24N2O2/c1-5-15(9-11(2)3)12(16)14-10-13(17-4)7-6-8-13/h2,5-10H2,1,3-4H3,(H,14,16)
InChIKeyGNKNNLCHJCDLHV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.16
Rot. Bonds6

About 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea

1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea (PubChem CID 122136539) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea
PubChem CID122136539
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NCC1(OC)CCC1
InChIInChI=1S/C13H24N2O2/c1-5-15(9-11(2)3)12(16)14-10-13(17-4)7-6-8-13/h2,5-10H2,1,3-4H3,(H,14,16)
InChIKeyGNKNNLCHJCDLHV-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea (CID 122136539) is 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)NCC1(OC)CCC1.
What is the InChIKey of 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea?
The InChIKey is GNKNNLCHJCDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-15(9-11(2)3)12(16)14-10-13(17-4)7-6-8-13/h2,5-10H2,1,3-4H3,(H,14,16).
What are the key properties of 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea?
1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 122136539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).