1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea

C11H22N2O2 — CID 103606012

IUPAC1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-7-3-6-12-11(14)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyUZAPGZWUJWKGCT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds7

About 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea

1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea (PubChem CID 103606012) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea
PubChem CID103606012
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-7-3-6-12-11(14)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyUZAPGZWUJWKGCT-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
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-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea (CID 103606012) is 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea is CC(C)COCCCNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea?
The InChIKey is UZAPGZWUJWKGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-15-7-3-6-12-11(14)13-10-4-5-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea?
1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 103606012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).