5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide

C23H24N2O4 — CID 10500718

IUPAC5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C23H24N2O4/c26-19-9-11-21(27)17(13-19)15-25-18-8-10-22(28)20(14-18)23(29)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,25-28H,4,7,12,15H2,(H,24,29)
InChIKeyNWPOOMNWBCXQHP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds8

About 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide (PubChem CID 10500718) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide
PubChem CID10500718
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C23H24N2O4/c26-19-9-11-21(27)17(13-19)15-25-18-8-10-22(28)20(14-18)23(29)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,25-28H,4,7,12,15H2,(H,24,29)
InChIKeyNWPOOMNWBCXQHP-UHFFFAOYSA-N
XLogP3.78
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide (CID 10500718) is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide?
The InChIKey is NWPOOMNWBCXQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-19-9-11-21(27)17(13-19)15-25-18-8-10-22(28)20(14-18)23(29)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,25-28H,4,7,12,15H2,(H,24,29).
What are the key properties of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide?
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 10500718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).