1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea

C13H22N2O2 — CID 58376748

IUPAC1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC12COCC1C2)C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-5-15(11-3-4-11)12(16)14-8-13-6-10(13)7-17-9-13/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyDUMDACYJRAOLFH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea

1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea (PubChem CID 58376748) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
PubChem CID58376748
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC12COCC1C2)C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-5-15(11-3-4-11)12(16)14-8-13-6-10(13)7-17-9-13/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyDUMDACYJRAOLFH-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
CID 58375886
1-Cyclopropyl-3-(6-oxaspiro[2.5]octan-2-yl)-1-propylurea
CID 58376204
1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea
CID 58376236
1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea;1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
CID 143814203
2-cyclobutyl-4-(methoxymethyl)-N-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922222
N-cyclopropyl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110617216
3-Cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618280
1-(2,2-dimethylcyclopropyl)-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128187734
1-[(1-cyclopropylcyclobutyl)methyl]-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128189987
N-[(2,2-dimethylcyclopropyl)methyl]-2-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 128608682
N-(1-cyclopropylpropan-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 132282960

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea (CID 58376748) is 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea is CCCN(C(=O)NCC12COCC1C2)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The InChIKey is DUMDACYJRAOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-5-15(11-3-4-11)12(16)14-8-13-6-10(13)7-17-9-13/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea is sourced from PubChem (CID 58376748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).