3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea

C16H22N2O2 — CID 75377624

IUPAC3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea
SMILESO=C(NC1CC1)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c19-16(17-14-6-7-14)18(15-9-11-20-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,19)
InChIKeyKLORCOGWQPBNEL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds5

About 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea

3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea (PubChem CID 75377624) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea
PubChem CID75377624
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea
SMILESO=C(NC1CC1)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c19-16(17-14-6-7-14)18(15-9-11-20-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,19)
InChIKeyKLORCOGWQPBNEL-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1973120
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CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
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2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 124042352
US10300051, Example 49
CID 118302908
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
2-(1,3-dioxolan-2-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53538055
2-Ethoxy-N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-YL)propyl]acetamide
CID 71784642
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CID 71859359

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea?
The IUPAC name of 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea (CID 75377624) is 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea?
The canonical SMILES for 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea is O=C(NC1CC1)N(CCc1ccccc1)C1CCOC1.
What is the InChIKey of 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea?
The InChIKey is KLORCOGWQPBNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(17-14-6-7-14)18(15-9-11-20-12-15)10-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea?
3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea has a molecular weight of 274.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxolan-3-yl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 75377624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).