1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea

C15H26N2O3 — CID 78890824

IUPAC1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)C1CCCO1
InChIInChI=1S/C15H26N2O3/c1-11(14-3-2-7-20-14)16-15(18)17(13-4-5-13)9-12-6-8-19-10-12/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyMUNSRGJYXBYNPM-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.76
Rot. Bonds5

About 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 78890824) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID78890824
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)C1CCCO1
InChIInChI=1S/C15H26N2O3/c1-11(14-3-2-7-20-14)16-15(18)17(13-4-5-13)9-12-6-8-19-10-12/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyMUNSRGJYXBYNPM-UHFFFAOYSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea (CID 78890824) is 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea is CC(NC(=O)N(CC1CCOC1)C1CC1)C1CCCO1.
What is the InChIKey of 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is MUNSRGJYXBYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(14-3-2-7-20-14)16-15(18)17(13-4-5-13)9-12-6-8-19-10-12/h11-14H,2-10H2,1H3,(H,16,18).
What are the key properties of 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 282.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(oxolan-2-yl)ethyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 78890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).