1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea

C16H16N2O2 — CID 108903091

IUPAC1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccccc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,17,18,19)/b12-11+
InChIKeySMRFVYDZMDETNE-VAWYXSNFSA-N
MW268.32 g/mol
LogP3.49
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903091) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
PubChem CID108903091
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccccc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,17,18,19)/b12-11+
InChIKeySMRFVYDZMDETNE-VAWYXSNFSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903362
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide
CID 122230000
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 3600561
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903190
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea (CID 108903091) is 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea is COc1ccccc1NC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
The InChIKey is SMRFVYDZMDETNE-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea?
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea has a molecular weight of 268.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).