2,5-dihydroxy-N-(3-phenoxypropyl)benzamide

C16H17NO4 — CID 107722899

IUPAC2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C16H17NO4/c18-12-7-8-15(19)14(11-12)16(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,18-19H,4,9-10H2,(H,17,20)
InChIKeyHOUDYYZZLFEDGM-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.30
Rot. Bonds6

About 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide

2,5-dihydroxy-N-(3-phenoxypropyl)benzamide (PubChem CID 107722899) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
PubChem CID107722899
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C16H17NO4/c18-12-7-8-15(19)14(11-12)16(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,18-19H,4,9-10H2,(H,17,20)
InChIKeyHOUDYYZZLFEDGM-UHFFFAOYSA-N
XLogP2.30
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide (CID 107722899) is 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide is O=C(NCCCOc1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide?
The InChIKey is HOUDYYZZLFEDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-12-7-8-15(19)14(11-12)16(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11,18-19H,4,9-10H2,(H,17,20).
What are the key properties of 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide?
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide has a molecular weight of 287.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 107722899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).