5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

C18H22N2O5 — CID 10043236

IUPAC5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-20-17(24)14-9-12(4-6-16(14)23)19-10-11-8-13(21)5-7-15(11)22/h4-9,19,21-23H,10H2,1-3H3,(H,20,24)
InChIKeyGWOCJNRJJDLQLF-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.88
Rot. Bonds5

About 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 10043236) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID10043236
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-20-17(24)14-9-12(4-6-16(14)23)19-10-11-8-13(21)5-7-15(11)22/h4-9,19,21-23H,10H2,1-3H3,(H,20,24)
InChIKeyGWOCJNRJJDLQLF-UHFFFAOYSA-N
XLogP2.88
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Osalmid
CID 4602
Lavendustin C
CID 3896
Lavendustin A
CID 3894
2-hydroxy-N-(4-methylphenyl)-5-nitrobenzamide
CID 487736
2-hydroxy-5-[N-[(2,5-dihydroxyphenyl)methyl] amino]-benzoic acid 3-phenylpropyl ester
CID 9821918
5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid methyl ester
CID 10085557
2-Hydroxy-5-((2-hydroxybenzyl)amino)benzoic acid
CID 10106602
Ethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
CID 10357604
N-Benzyl-4-(2,5-dihydroxy-benzylamino)-benzamide
CID 10593843
2-hydroxy-4-methyl-N-phenylbenzamide
CID 5274032
N-[3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
CID 740408
N-{3-[4-(dimethylamino)phenyl]acryloyl}-2-hydroxybenzamide
CID 740409

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 10043236) is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is GWOCJNRJJDLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2,3)25-20-17(24)14-9-12(4-6-16(14)23)19-10-11-8-13(21)5-7-15(11)22/h4-9,19,21-23H,10H2,1-3H3,(H,20,24).
What are the key properties of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 10043236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).