1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea

C11H22N2O2 — CID 104623183

IUPAC1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea
SMILESCOCCC(C)(C)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,6-7-15-3)8-12-10(14)13-9-4-5-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyMRUKNNPKYMJDMM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds6

About 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea

1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea (PubChem CID 104623183) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea
PubChem CID104623183
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea
SMILESCOCCC(C)(C)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,6-7-15-3)8-12-10(14)13-9-4-5-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyMRUKNNPKYMJDMM-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea (CID 104623183) is 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea is COCCC(C)(C)CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea?
The InChIKey is MRUKNNPKYMJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,6-7-15-3)8-12-10(14)13-9-4-5-9/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea?
1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 104623183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).