1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea

C14H20N2O3 — CID 47195849

IUPAC1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O3/c1-2-18-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-19-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16,17)
InChIKeyPQVSJDKWBKEORS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea

1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47195849) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47195849
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O3/c1-2-18-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-19-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16,17)
InChIKeyPQVSJDKWBKEORS-UHFFFAOYSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 51952595
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56824446
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea (CID 47195849) is 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea is CCOc1ccccc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is PQVSJDKWBKEORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-18-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-19-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47195849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).