1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea

C15H22N2O3 — CID 108912943

IUPAC1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-14-6-4-3-5-13(14)17-15(18)16-11-12-7-9-19-10-8-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18)
InChIKeyDJADQNYDXRBVIS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea

1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea (PubChem CID 108912943) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
PubChem CID108912943
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-14-6-4-3-5-13(14)17-15(18)16-11-12-7-9-19-10-8-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18)
InChIKeyDJADQNYDXRBVIS-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966791
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea (CID 108912943) is 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea is CCOc1ccccc1NC(=O)NCC1CCOCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea?
The InChIKey is DJADQNYDXRBVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-14-6-4-3-5-13(14)17-15(18)16-11-12-7-9-19-10-8-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea?
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.63, 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-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 108912943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).