4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide

C18H20N2O5 — CID 44516409

IUPAC4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-24-15-9-3-12(11-16(15)25-2)4-10-17(21)19-14-7-5-13(6-8-14)18(22)20-23/h3,5-9,11,23H,4,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNKWHVVGYBKPFSR-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.39
Rot. Bonds7

About 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide

4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide (PubChem CID 44516409) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
PubChem CID44516409
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H20N2O5/c1-24-15-9-3-12(11-16(15)25-2)4-10-17(21)19-14-7-5-13(6-8-14)18(22)20-23/h3,5-9,11,23H,4,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNKWHVVGYBKPFSR-UHFFFAOYSA-N
XLogP2.39
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
N-hydroxy-4-(3-naphthalen-2-ylpropanoylamino)benzamide
CID 173044291
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide (CID 44516409) is 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide is COc1ccc(CCC(=O)Nc2ccc(C(=O)NO)cc2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide?
The InChIKey is NKWHVVGYBKPFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-15-9-3-12(11-16(15)25-2)4-10-17(21)19-14-7-5-13(6-8-14)18(22)20-23/h3,5-9,11,23H,4,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide?
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide has a molecular weight of 344.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 44516409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).