2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide

C20H24N2O6 — CID 163133324

IUPAC2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide
SMILESO=C(NCCCCC(CO)NC(=O)c1cccc(O)c1O)c1ccccc1O
InChIInChI=1S/C20H24N2O6/c23-12-13(22-20(28)15-8-5-10-17(25)18(15)26)6-3-4-11-21-19(27)14-7-1-2-9-16(14)24/h1-2,5,7-10,13,23-26H,3-4,6,11-12H2,(H,21,27)(H,22,28)
InChIKeyGZKHCSFVZUPXMA-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.49
Rot. Bonds9

About 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide

2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide (PubChem CID 163133324) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide
PubChem CID163133324
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide
SMILESO=C(NCCCCC(CO)NC(=O)c1cccc(O)c1O)c1ccccc1O
InChIInChI=1S/C20H24N2O6/c23-12-13(22-20(28)15-8-5-10-17(25)18(15)26)6-3-4-11-21-19(27)14-7-1-2-9-16(14)24/h1-2,5,7-10,13,23-26H,3-4,6,11-12H2,(H,21,27)(H,22,28)
InChIKeyGZKHCSFVZUPXMA-UHFFFAOYSA-N
XLogP1.49
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 51.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(5S)-6-hydroxy-5-[(2-hydroxybenzoyl)amino]hexyl]benzamide
CID 118988697
N-[(5S)-5-[(2-chlorobenzoyl)amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
CID 118988706
N-[6-[(2-fluoro-6-hydroxybenzoyl)amino]-1-hydroxyhexan-2-yl]-2,3-dihydroxybenzamide
CID 163126979
2,3-dihydroxy-N-[(2S)-1-hydroxy-6-[(2-hydroxy-3-methoxybenzoyl)amino]hexan-2-yl]benzamide
CID 139584659
N-[(5R)-6-amino-5-[(2,3-dihydroxybenzoyl)amino]hexyl]-2,3-dihydroxybenzamide
CID 10597288
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-(1,7-diaminoheptan-2-yl)-2,3-dihydroxybenzamide
CID 56991372
N-[(2R)-1,7-diaminoheptan-2-yl]-2,3-dihydroxybenzamide
CID 54203752
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide (CID 163133324) is 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide is O=C(NCCCCC(CO)NC(=O)c1cccc(O)c1O)c1ccccc1O.
What is the InChIKey of 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide?
The InChIKey is GZKHCSFVZUPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c23-12-13(22-20(28)15-8-5-10-17(25)18(15)26)6-3-4-11-21-19(27)14-7-1-2-9-16(14)24/h1-2,5,7-10,13,23-26H,3-4,6,11-12H2,(H,21,27)(H,22,28).
What are the key properties of 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide?
2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 1.49, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide is sourced from PubChem (CID 163133324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).