2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide

C17H18N2O4 — CID 51105782

IUPAC2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccccc1O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c20-13-6-3-5-12(11-13)16(22)18-9-4-10-19-17(23)14-7-1-2-8-15(14)21/h1-3,5-8,11,20-21H,4,9-10H2,(H,18,22)(H,19,23)
InChIKeyBYSIRXHMWDKDCS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.65
Rot. Bonds6

About 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide

2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide (PubChem CID 51105782) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
PubChem CID51105782
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccccc1O)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c20-13-6-3-5-12(11-13)16(22)18-9-4-10-19-17(23)14-7-1-2-8-15(14)21/h1-3,5-8,11,20-21H,4,9-10H2,(H,18,22)(H,19,23)
InChIKeyBYSIRXHMWDKDCS-UHFFFAOYSA-N
XLogP1.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929360
3-hydroxy-N-octylbenzamide
CID 115568584
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
CID 23118561
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744
N-ethyl-3-hydroxybenzamide
CID 13175248

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide?
The IUPAC name of 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide (CID 51105782) is 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide is O=C(NCCCNC(=O)c1ccccc1O)c1cccc(O)c1.
What is the InChIKey of 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide?
The InChIKey is BYSIRXHMWDKDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-13-6-3-5-12(11-13)16(22)18-9-4-10-19-17(23)14-7-1-2-8-15(14)21/h1-3,5-8,11,20-21H,4,9-10H2,(H,18,22)(H,19,23).
What are the key properties of 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide?
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide has a molecular weight of 314.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 51105782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).