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

C19H22N2O3 — CID 108906013

IUPAC1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-8-5-6-15(14-17)10-12-20-19(22)21-13-11-16-7-3-4-9-18(16)24-2/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b12-10+
InChIKeyMRWCDMLVLRSAGM-ZRDIBKRKSA-N
MW326.40 g/mol
LogP3.22
Rot. Bonds7

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

1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 108906013) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID108906013
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-8-5-6-15(14-17)10-12-20-19(22)21-13-11-16-7-3-4-9-18(16)24-2/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b12-10+
InChIKeyMRWCDMLVLRSAGM-ZRDIBKRKSA-N
XLogP3.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914510
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 108906013) is 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1cccc(/C=C/NC(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is MRWCDMLVLRSAGM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-8-5-6-15(14-17)10-12-20-19(22)21-13-11-16-7-3-4-9-18(16)24-2/h3-10,12,14H,11,13H2,1-2H3,(H2,20,21,22)/b12-10+.
What are the key properties of 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108906013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).