1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea

C14H15N3O3 — CID 107698021

IUPAC1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(O)cc2N)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-9(7-11)16-14(19)17-13-6-5-10(18)8-12(13)15/h2-8,18H,15H2,1H3,(H2,16,17,19)
InChIKeyPGSOSIHZHHAMNJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea

1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 107698021) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
PubChem CID107698021
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(O)cc2N)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-9(7-11)16-14(19)17-13-6-5-10(18)8-12(13)15/h2-8,18H,15H2,1H3,(H2,16,17,19)
InChIKeyPGSOSIHZHHAMNJ-UHFFFAOYSA-N
XLogP2.63
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869562
1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 61310773
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea (CID 107698021) is 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(O)cc2N)c1.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is PGSOSIHZHHAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-11-4-2-3-9(7-11)16-14(19)17-13-6-5-10(18)8-12(13)15/h2-8,18H,15H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea?
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 273.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 107698021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).