3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide

Name: 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₀N₂O₄ — CID 108542531

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide

SMILESO=C(CCc1ccccc1)NCCNC(=O)c1cc(O)cc(O)c1

InChIInChI=1S/C18H20N2O4/c21-15-10-14(11-16(22)12-15)18(24)20-9-8-19-17(23)7-6-13-4-2-1-3-5-13/h1-5,10-12,21-22H,6-9H2,(H,19,23)(H,20,24)

InChIKeyMFJLTKHKXRJVAC-UHFFFAOYSA-N

MW328.37 g/mol

LogP1.58

Rot. Bonds7

About 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide

3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide (PubChem CID 108542531) has the molecular formula C₁₈H₂₀N₂O₄ and a molecular weight of 328.37 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name	3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
PubChem CID	108542531
Molecular Formula	C₁₈H₂₀N₂O₄
Molecular Weight	328.37 g/mol
Exact Mass	328.14
IUPAC Name	3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
SMILES	O=C(CCc1ccccc1)NCCNC(=O)c1cc(O)cc(O)c1
InChI	InChI=1S/C18H20N2O4/c21-15-10-14(11-16(22)12-15)18(24)20-9-8-19-17(23)7-6-13-4-2-1-3-5-13/h1-5,10-12,21-22H,6-9H2,(H,19,23)(H,20,24)
InChIKey	MFJLTKHKXRJVAC-UHFFFAOYSA-N
XLogP	1.58
TPSA	98.66 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide?

The IUPAC name of 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide (CID 108542531) is 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide.

What is the SMILES notation for 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide?

The canonical SMILES for 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide is O=C(CCc1ccccc1)NCCNC(=O)c1cc(O)cc(O)c1.

What is the InChIKey of 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide?

The InChIKey is MFJLTKHKXRJVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15-10-14(11-16(22)12-15)18(24)20-9-8-19-17(23)7-6-13-4-2-1-3-5-13/h1-5,10-12,21-22H,6-9H2,(H,19,23)(H,20,24).

What are the key properties of 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide?

3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 108542531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 108542531 — identifiers, structure, computed properties (public domain)

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