1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea

C16H19N3O3 — CID 108869562

IUPAC1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2N)cc(OC)c1
InChIInChI=1S/C16H19N3O3/c1-10-4-5-15(14(17)6-10)19-16(20)18-11-7-12(21-2)9-13(8-11)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyZSSSZVZEFGBJCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea

1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869562) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869562
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2N)cc(OC)c1
InChIInChI=1S/C16H19N3O3/c1-10-4-5-15(14(17)6-10)19-16(20)18-11-7-12(21-2)9-13(8-11)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20)
InChIKeyZSSSZVZEFGBJCM-UHFFFAOYSA-N
XLogP3.24
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(2-amino-4-methylphenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868071
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
N-(2-amino-4-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 102881866
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea (CID 108869562) is 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(C)cc2N)cc(OC)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is ZSSSZVZEFGBJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-4-5-15(14(17)6-10)19-16(20)18-11-7-12(21-2)9-13(8-11)22-3/h4-9H,17H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 301.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).