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

C18H20N2O4 — CID 108542531

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 Name3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
PubChem CID108542531
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3,5-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
XLogP1.58
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.58
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

3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540157
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562
N-[2-(3-phenylpropanoylamino)ethyl]-2-sulfanylbenzamide
CID 108542237
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide
CID 66689343
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

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).