1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea

C13H18N2O3 — CID 115758908

IUPAC1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c1-2-18-12-5-3-10(4-6-12)14-13(16)15-11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyUQNMNRKEXWQCIR-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea

1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea (PubChem CID 115758908) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
PubChem CID115758908
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c1-2-18-12-5-3-10(4-6-12)14-13(16)15-11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyUQNMNRKEXWQCIR-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
methyl 4-[4-[[(3S)-oxan-3-yl]carbamoylamino]phenoxy]butanoate
CID 95624318
2-methyl-2-[4-(oxolan-3-ylcarbamoylamino)phenyl]propanoic acid
CID 80549065
3-[4-(oxolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 104501854
1-(2-adamantyl)-3-(4-ethoxyphenyl)urea
CID 17283236
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
CID 97272330
1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
1-(4-ethoxyphenyl)-3-[(1S,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1467063
1-(4-ethoxyphenyl)-3-[(1R,5S)-9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1460931

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea (CID 115758908) is 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea is CCOc1ccc(NC(=O)NC2CCOC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea?
The InChIKey is UQNMNRKEXWQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-12-5-3-10(4-6-12)14-13(16)15-11-7-8-17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea?
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea has a molecular weight of 250.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).