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

C16H26N2O2 — CID 71970558

IUPAC1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CCCC(C2CC2)C1)NC1CC2CCC1O2
InChIInChI=1S/C16H26N2O2/c19-16(18-14-9-13-6-7-15(14)20-13)17-12-3-1-2-11(8-12)10-4-5-10/h10-15H,1-9H2,(H2,17,18,19)
InChIKeyBAKOGRLBMRCYIU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds3

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

1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 71970558) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID71970558
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CCCC(C2CC2)C1)NC1CC2CCC1O2
InChIInChI=1S/C16H26N2O2/c19-16(18-14-9-13-6-7-15(14)20-13)17-12-3-1-2-11(8-12)10-4-5-10/h10-15H,1-9H2,(H2,17,18,19)
InChIKeyBAKOGRLBMRCYIU-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(oxolan-2-ylmethyl)urea
CID 91644519
1-(3-Bicyclo[3.1.0]hexanyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 128912932
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 75426454
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 98873432
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 98873434
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 124784736
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 124784737
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
1-[3-(Cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970570
1-Cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75426482
N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714507
1-(1-Cyclopropylethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587263

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 71970558) is 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NC1CCCC(C2CC2)C1)NC1CC2CCC1O2.
What is the InChIKey of 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is BAKOGRLBMRCYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-16(18-14-9-13-6-7-15(14)20-13)17-12-3-1-2-11(8-12)10-4-5-10/h10-15H,1-9H2,(H2,17,18,19).
What are the key properties of 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylcyclohexyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 71970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).