2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide

C24H34N4O8 — CID 145201876

IUPAC2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide
SMILESCC(O)CNC(=O)c1cccc(O)c1O.O=CNCCCNCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H21N3O4.C10H13NO4/c18-10-16-8-2-6-15-7-3-9-17-14(21)11-4-1-5-12(19)13(11)20;1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h1,4-5,10,15,19-20H,2-3,6-9H2,(H,16,18)(H,17,21);2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyIRXLXFNAGMRLST-UHFFFAOYSA-N
MW506.56 g/mol
LogP0.15
Rot. Bonds13

About 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide

2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide (PubChem CID 145201876) has the molecular formula C24H34N4O8 and a molecular weight of 506.56 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide
PubChem CID145201876
Molecular FormulaC24H34N4O8
Molecular Weight506.56 g/mol
Exact Mass506.24
IUPAC Name2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide
SMILESCC(O)CNC(=O)c1cccc(O)c1O.O=CNCCCNCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H21N3O4.C10H13NO4/c18-10-16-8-2-6-15-7-3-9-17-14(21)11-4-1-5-12(19)13(11)20;1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h1,4-5,10,15,19-20H,2-3,6-9H2,(H,16,18)(H,17,21);2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyIRXLXFNAGMRLST-UHFFFAOYSA-N
XLogP0.15
TPSA200.48 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 50.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
N-[3-[3-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propylamino]propyl]-2,3-dihydroxybenzamide
CID 102077913
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
CID 84579023
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-[(5R)-6-amino-5-[(2,3-dihydroxybenzoyl)amino]hexyl]-2,3-dihydroxybenzamide
CID 10597288

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide (CID 145201876) is 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide is CC(O)CNC(=O)c1cccc(O)c1O.O=CNCCCNCCCNC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide?
The InChIKey is IRXLXFNAGMRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.C10H13NO4/c18-10-16-8-2-6-15-7-3-9-17-14(21)11-4-1-5-12(19)13(11)20;1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h1,4-5,10,15,19-20H,2-3,6-9H2,(H,16,18)(H,17,21);2-4,6,12-14H,5H2,1H3,(H,11,15).
What are the key properties of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide?
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide has a molecular weight of 506.56 g/mol, XLogP of 0.15, 13 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 145201876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).