[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea

C15H17N3O3 — CID 43744824

IUPAC[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
SMILESCOc1ccc(O)c(CNc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-7-14(19)10(8-13)9-17-11-2-4-12(5-3-11)18-15(16)20/h2-8,17,19H,9H2,1H3,(H3,16,18,20)
InChIKeyDKXPEHCOPALKHZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds5

About [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea

[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea (PubChem CID 43744824) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
PubChem CID43744824
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
SMILESCOc1ccc(O)c(CNc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-7-14(19)10(8-13)9-17-11-2-4-12(5-3-11)18-15(16)20/h2-8,17,19H,9H2,1H3,(H3,16,18,20)
InChIKeyDKXPEHCOPALKHZ-UHFFFAOYSA-N
XLogP2.50
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
1-[2-amino-5-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]-3,3-dimethylbutan-1-one
CID 70513186
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
4-methoxy-2-[(4-methyl-3-nitroanilino)methyl]phenol
CID 43718257
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea?
The IUPAC name of [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea (CID 43744824) is [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea.
What is the SMILES notation for [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea?
The canonical SMILES for [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea is COc1ccc(O)c(CNc2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea?
The InChIKey is DKXPEHCOPALKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-13-6-7-14(19)10(8-13)9-17-11-2-4-12(5-3-11)18-15(16)20/h2-8,17,19H,9H2,1H3,(H3,16,18,20).
What are the key properties of [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea?
[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea has a molecular weight of 287.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).