1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea

C15H26N2O3 — CID 75422165

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCCOCC2CC2)C2CCOC21
InChIInChI=1S/C15H26N2O3/c1-15(2)12(11-5-7-20-13(11)15)17-14(18)16-6-8-19-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyGBBDMTYBGAKKNZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea

1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (PubChem CID 75422165) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
PubChem CID75422165
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCCOCC2CC2)C2CCOC21
InChIInChI=1S/C15H26N2O3/c1-15(2)12(11-5-7-20-13(11)15)17-14(18)16-6-8-19-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyGBBDMTYBGAKKNZ-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
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-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (CID 75422165) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is CC1(C)C(NC(=O)NCCOCC2CC2)C2CCOC21.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The InChIKey is GBBDMTYBGAKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)12(11-5-7-20-13(11)15)17-14(18)16-6-8-19-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea has a molecular weight of 282.38 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-(cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is sourced from PubChem (CID 75422165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).