1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea

C17H21N3O2 — CID 143443885

IUPAC1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-11-4-5-13(8-12(11)2)10-19-17(21)20-16-7-6-14(22-3)9-15(16)18/h4-9H,10,18H2,1-3H3,(H2,19,20,21)
InChIKeyWTRKXZQPTIVEFS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea

1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea (PubChem CID 143443885) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea
PubChem CID143443885
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-11-4-5-13(8-12(11)2)10-19-17(21)20-16-7-6-14(22-3)9-15(16)18/h4-9H,10,18H2,1-3H3,(H2,19,20,21)
InChIKeyWTRKXZQPTIVEFS-UHFFFAOYSA-N
XLogP3.22
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.22
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-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea (CID 143443885) is 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea is COc1ccc(NC(=O)NCc2ccc(C)c(C)c2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea?
The InChIKey is WTRKXZQPTIVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-4-5-13(8-12(11)2)10-19-17(21)20-16-7-6-14(22-3)9-15(16)18/h4-9H,10,18H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea?
1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea is sourced from PubChem (CID 143443885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).