3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea

C11H20N2O2 — CID 115590775

IUPAC3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c1-2-13(8-10-4-3-7-15-10)11(14)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyOCBRQUWMXXQQPO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds4

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

3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 115590775) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
PubChem CID115590775
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c1-2-13(8-10-4-3-7-15-10)11(14)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyOCBRQUWMXXQQPO-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea
CID 115594267
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61438999
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61439565
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea (CID 115590775) is 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea is CCN(CC1CCCO1)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is OCBRQUWMXXQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-13(8-10-4-3-7-15-10)11(14)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea?
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 115590775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).