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

C15H17N3O3 — CID 43602334

IUPAC1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2OC)cc1N
InChIInChI=1S/C15H17N3O3/c1-20-13-8-7-10(9-11(13)16)17-15(19)18-12-5-3-4-6-14(12)21-2/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyTWJNHJNNUHEOJJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.93
Rot. Bonds4

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

1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea (PubChem CID 43602334) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
PubChem CID43602334
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2OC)cc1N
InChIInChI=1S/C15H17N3O3/c1-20-13-8-7-10(9-11(13)16)17-15(19)18-12-5-3-4-6-14(12)21-2/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeyTWJNHJNNUHEOJJ-UHFFFAOYSA-N
XLogP2.93
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.93
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

CID 168763596
CID 168763596
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N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
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1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
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1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
1-(2,3-dihydro-1H-indol-5-yl)-3-(2-methoxyphenyl)urea
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CID 43599878

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea (CID 43602334) is 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2OC)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is TWJNHJNNUHEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-8-7-10(9-11(13)16)17-15(19)18-12-5-3-4-6-14(12)21-2/h3-9H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea?
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 43602334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).