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

C17H19N3O — CID 108905616

IUPAC1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2N)c1
InChIInChI=1S/C17H19N3O/c1-12-4-3-5-14(10-12)8-9-19-17(21)20-16-7-6-13(2)11-15(16)18/h3-11H,18H2,1-2H3,(H2,19,20,21)/b9-8+
InChIKeyGYTYECYSKNVLTN-CMDGGOBGSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds3

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

1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905616) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905616
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2N)c1
InChIInChI=1S/C17H19N3O/c1-12-4-3-5-14(10-12)8-9-19-17(21)20-16-7-6-13(2)11-15(16)18/h3-11H,18H2,1-2H3,(H2,19,20,21)/b9-8+
InChIKeyGYTYECYSKNVLTN-CMDGGOBGSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905616) is 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is Cc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is GYTYECYSKNVLTN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-3-5-14(10-12)8-9-19-17(21)20-16-7-6-13(2)11-15(16)18/h3-11H,18H2,1-2H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 281.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).