1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C16H27N3O2 — CID 84587417

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCCN(CC1CC1)C1CC1)NC1CC2CCC1O2
InChIInChI=1S/C16H27N3O2/c20-16(18-14-9-13-5-6-15(14)21-13)17-7-8-19(12-3-4-12)10-11-1-2-11/h11-15H,1-10H2,(H2,17,18,20)
InChIKeyRVLBELROUAMLJL-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.48
Rot. Bonds7

About 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 84587417) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID84587417
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCCN(CC1CC1)C1CC1)NC1CC2CCC1O2
InChIInChI=1S/C16H27N3O2/c20-16(18-14-9-13-5-6-15(14)21-13)17-7-8-19(12-3-4-12)10-11-1-2-11/h11-15H,1-10H2,(H2,17,18,20)
InChIKeyRVLBELROUAMLJL-UHFFFAOYSA-N
XLogP1.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-1-(cyclopropylmethyl)-3-(oxolan-2-ylmethyl)urea
CID 60234954
1-[3-(Cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970570
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379965
1-Cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75426482
1-Cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
CID 78890824
N-(cyclopropylmethyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
CID 80719745
1-[2-(7-Oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]imidazolidin-2-one
CID 80720711
2-(cyclopropylmethylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80720799
1-(Cyclopropylmethyl)-1-(2-hydroxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587262
1-(1-Cyclopropylethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587263
1-(Cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587275
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849772

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 84587417) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCCN(CC1CC1)C1CC1)NC1CC2CCC1O2.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is RVLBELROUAMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-16(18-14-9-13-5-6-15(14)21-13)17-7-8-19(12-3-4-12)10-11-1-2-11/h11-15H,1-10H2,(H2,17,18,20).
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 293.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 84587417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).