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

C19H22N2O2 — CID 108905972

IUPAC1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
SMILESCCN(C(=O)N/C=C/c1cccc(OC)c1)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-4-21(17-9-5-7-15(2)13-17)19(22)20-12-11-16-8-6-10-18(14-16)23-3/h5-14H,4H2,1-3H3,(H,20,22)/b12-11+
InChIKeyJTOOBXKCYIBRPQ-VAWYXSNFSA-N
MW310.40 g/mol
LogP4.21
Rot. Bonds5

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

1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea (PubChem CID 108905972) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
PubChem CID108905972
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
SMILESCCN(C(=O)N/C=C/c1cccc(OC)c1)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-4-21(17-9-5-7-15(2)13-17)19(22)20-12-11-16-8-6-10-18(14-16)23-3/h5-14H,4H2,1-3H3,(H,20,22)/b12-11+
InChIKeyJTOOBXKCYIBRPQ-VAWYXSNFSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
CID 108906183
N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide
CID 108905876
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 121264611
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea?
The IUPAC name of 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea (CID 108905972) is 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea?
The canonical SMILES for 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea is CCN(C(=O)N/C=C/c1cccc(OC)c1)c1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea?
The InChIKey is JTOOBXKCYIBRPQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-21(17-9-5-7-15(2)13-17)19(22)20-12-11-16-8-6-10-18(14-16)23-3/h5-14H,4H2,1-3H3,(H,20,22)/b12-11+.
What are the key properties of 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea?
1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea is sourced from PubChem (CID 108905972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).