1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C13H22N2O2 — CID 75380040

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCCC1(CNC(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H22N2O2/c1-2-13(5-6-13)8-14-12(16)15-10-7-9-3-4-11(10)17-9/h9-11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyOOCXNROWBHZIAG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds4

About 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75380040) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75380040
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCCC1(CNC(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C13H22N2O2/c1-2-13(5-6-13)8-14-12(16)15-10-7-9-3-4-11(10)17-9/h9-11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyOOCXNROWBHZIAG-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea 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-(2-Methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 84588916
1-(3-Bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 128912932
CID 59368102
CID 59368102
1,3-Dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 59563981
7-Oxabicyclo[2.2.1]heptan-2-ylurea
CID 69640870
1-(1-Cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 47221382
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
1-[[1-(2-Ethoxyethyl)cyclobutyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71968498
1-[3-(Cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970570
1-Cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970571
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379965
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380025

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75380040) is 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CCC1(CNC(=O)NC2CC3CCC2O3)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is OOCXNROWBHZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-13(5-6-13)8-14-12(16)15-10-7-9-3-4-11(10)17-9/h9-11H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75380040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).