1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C19H22N2O2 — CID 108903526

IUPAC1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCOc1ccc(C(C)NC(=O)N/C=C/c2ccccc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-4-5-7-16(14)12-13-20-19(22)21-15(2)17-8-10-18(23-3)11-9-17/h4-13,15H,1-3H3,(H2,20,21,22)/b13-12+
InChIKeyVGZNGXRBTCXEOG-OUKQBFOZSA-N
MW310.40 g/mol
LogP4.03
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903526) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903526
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCOc1ccc(C(C)NC(=O)N/C=C/c2ccccc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-4-5-7-16(14)12-13-20-19(22)21-15(2)17-8-10-18(23-3)11-9-17/h4-13,15H,1-3H3,(H2,20,21,22)/b13-12+
InChIKeyVGZNGXRBTCXEOG-OUKQBFOZSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108908365
1-[(E)-3,3-dimethylbut-1-enyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108911328
1-[(E)-2,3-dimethylbut-1-enyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108914630
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea
CID 108903161

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903526) is 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea is COc1ccc(C(C)NC(=O)N/C=C/c2ccccc2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is VGZNGXRBTCXEOG-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-4-5-7-16(14)12-13-20-19(22)21-15(2)17-8-10-18(23-3)11-9-17/h4-13,15H,1-3H3,(H2,20,21,22)/b13-12+.
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 310.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).