2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide

C23H28N4O6 — CID 102039466

IUPAC2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCCCCCNC(=O)c2cccc(C(=O)NC)c2O)c1O
InChIInChI=1S/C23H28N4O6/c1-24-20(30)14-8-6-10-16(18(14)28)22(32)26-12-4-3-5-13-27-23(33)17-11-7-9-15(19(17)29)21(31)25-2/h6-11,28-29H,3-5,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,27,33)
InChIKeyLDLMRBDPBAYQKR-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.15
Rot. Bonds10

About 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide

2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 102039466) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID102039466
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCCCCCNC(=O)c2cccc(C(=O)NC)c2O)c1O
InChIInChI=1S/C23H28N4O6/c1-24-20(30)14-8-6-10-16(18(14)28)22(32)26-12-4-3-5-13-27-23(33)17-11-7-9-15(19(17)29)21(31)25-2/h6-11,28-29H,3-5,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,27,33)
InChIKeyLDLMRBDPBAYQKR-UHFFFAOYSA-N
XLogP1.15
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)-5-nitrobenzoyl]amino]pentyl]-1-N-methyl-5-nitrobenzene-1,3-dicarboxamide
CID 102039467
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide (CID 102039466) is 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NCCCCCNC(=O)c2cccc(C(=O)NC)c2O)c1O.
What is the InChIKey of 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is LDLMRBDPBAYQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-24-20(30)14-8-6-10-16(18(14)28)22(32)26-12-4-3-5-13-27-23(33)17-11-7-9-15(19(17)29)21(31)25-2/h6-11,28-29H,3-5,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,27,33).
What are the key properties of 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide?
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 456.50 g/mol, XLogP of 1.15, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 102039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).