5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

C22H30N2O4 — CID 67786808

IUPAC5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C22H30N2O4/c1-21(2,3)13-22(4,5)24-20(28)17-11-15(6-8-19(17)27)23-12-14-10-16(25)7-9-18(14)26/h6-11,23,25-27H,12-13H2,1-5H3,(H,24,28)
InChIKeyBUOXEXGLLHALNH-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.36
Rot. Bonds6

About 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 67786808) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID67786808
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C22H30N2O4/c1-21(2,3)13-22(4,5)24-20(28)17-11-15(6-8-19(17)27)23-12-14-10-16(25)7-9-18(14)26/h6-11,23,25-27H,12-13H2,1-5H3,(H,24,28)
InChIKeyBUOXEXGLLHALNH-UHFFFAOYSA-N
XLogP4.36
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 67786808) is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is BUOXEXGLLHALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-21(2,3)13-22(4,5)24-20(28)17-11-15(6-8-19(17)27)23-12-14-10-16(25)7-9-18(14)26/h6-11,23,25-27H,12-13H2,1-5H3,(H,24,28).
What are the key properties of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 386.49 g/mol, XLogP of 4.36, 6 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-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 67786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).