1-(5-amino-2-methoxyphenyl)-3-benzylurea

C15H17N3O2 — CID 107652897

IUPAC1-(5-amino-2-methoxyphenyl)-3-benzylurea
SMILESCOc1ccc(N)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyPSNVGXCGRSCDJX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-amino-2-methoxyphenyl)-3-benzylurea

1-(5-amino-2-methoxyphenyl)-3-benzylurea (PubChem CID 107652897) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(5-amino-2-methoxyphenyl)-3-benzylurea.

Molecular Properties

Compound Name1-(5-amino-2-methoxyphenyl)-3-benzylurea
PubChem CID107652897
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(5-amino-2-methoxyphenyl)-3-benzylurea
SMILESCOc1ccc(N)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKeyPSNVGXCGRSCDJX-UHFFFAOYSA-N
XLogP2.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.60
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-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(4-amino-2-hydroxyphenyl)-3-benzylurea
CID 15553207
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
CID 19754489
1-(2-aminophenyl)-3-benzylurea
CID 86135193

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methoxyphenyl)-3-benzylurea?
The IUPAC name of 1-(5-amino-2-methoxyphenyl)-3-benzylurea (CID 107652897) is 1-(5-amino-2-methoxyphenyl)-3-benzylurea.
What is the SMILES notation for 1-(5-amino-2-methoxyphenyl)-3-benzylurea?
The canonical SMILES for 1-(5-amino-2-methoxyphenyl)-3-benzylurea is COc1ccc(N)cc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-(5-amino-2-methoxyphenyl)-3-benzylurea?
The InChIKey is PSNVGXCGRSCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(5-amino-2-methoxyphenyl)-3-benzylurea?
1-(5-amino-2-methoxyphenyl)-3-benzylurea has a molecular weight of 271.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methoxyphenyl)-3-benzylurea is sourced from PubChem (CID 107652897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).