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

C15H26N2O2 — CID 71924049

IUPAC1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea
SMILESCCC1(CNC(=O)NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-4-15(6-7-15)9-16-13(18)17-11-10-5-8-19-12(10)14(11,2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyUZDOJOYRHGDNMO-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.29
Rot. Bonds4

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

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea (PubChem CID 71924049) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea
PubChem CID71924049
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea
SMILESCCC1(CNC(=O)NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-4-15(6-7-15)9-16-13(18)17-11-10-5-8-19-12(10)14(11,2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyUZDOJOYRHGDNMO-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea with MolForge

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Related Compounds

1-Cyclopropyl-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 71926299
1-Methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71977298
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(oxolan-2-ylmethyl)-1-propylurea
CID 75373155
1-[2-(Cyclopropylmethoxy)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 75422165
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea
CID 102558072
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 71929910
1-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97090247
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97090249
1-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 100898572
1-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 124778717
1-(4,4-Difluoropiperidin-3-yl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 166237757
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
CID 127000308

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea?
The IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea (CID 71924049) is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea is CCC1(CNC(=O)NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea?
The InChIKey is UZDOJOYRHGDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-15(6-7-15)9-16-13(18)17-11-10-5-8-19-12(10)14(11,2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea?
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea has a molecular weight of 266.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-ethylcyclopropyl)methyl]urea is sourced from PubChem (CID 71924049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).