1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

C17H19N3O2 — CID 108907850

IUPAC1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-8-15(18)16(11-12)20-17(21)19-10-9-13-4-6-14(22-2)7-5-13/h3-11H,18H2,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyWAUMBIFLZJUUEO-MDZDMXLPSA-N
MW297.36 g/mol
LogP3.38
Rot. Bonds4

About 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907850) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907850
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-8-15(18)16(11-12)20-17(21)19-10-9-13-4-6-14(22-2)7-5-13/h3-11H,18H2,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyWAUMBIFLZJUUEO-MDZDMXLPSA-N
XLogP3.38
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907831
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
N'-(2-amino-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 108508266

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907850) is 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is COc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2N)cc1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is WAUMBIFLZJUUEO-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-8-15(18)16(11-12)20-17(21)19-10-9-13-4-6-14(22-2)7-5-13/h3-11H,18H2,1-2H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 297.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).