1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C14H20N2O2 — CID 108904010

IUPAC1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCN(CC)C(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-8-6-7-9-13(12)18-3/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+
InChIKeyGURHKTCAHVIBON-ZHACJKMWSA-N
MW248.33 g/mol
LogP2.72
Rot. Bonds5

About 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108904010) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108904010
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCN(CC)C(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-8-6-7-9-13(12)18-3/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+
InChIKeyGURHKTCAHVIBON-ZHACJKMWSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903996
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907733
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108903982
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
CID 108905100
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108904010) is 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is CCN(CC)C(=O)N/C=C/c1ccccc1OC.
What is the InChIKey of 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is GURHKTCAHVIBON-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-8-6-7-9-13(12)18-3/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+.
What are the key properties of 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108904010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).