N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide

C20H24N2O5 — CID 108540073

IUPACN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccccc2O)cc1OC
InChIInChI=1S/C20H24N2O5/c1-26-17-9-7-14(13-18(17)27-2)8-10-19(24)21-11-12-22-20(25)15-5-3-4-6-16(15)23/h3-7,9,13,23H,8,10-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVBFDVSUEHNMEFO-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.89
Rot. Bonds9

About N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide

N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide (PubChem CID 108540073) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
PubChem CID108540073
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccccc2O)cc1OC
InChIInChI=1S/C20H24N2O5/c1-26-17-9-7-14(13-18(17)27-2)8-10-19(24)21-11-12-22-20(25)15-5-3-4-6-16(15)23/h3-7,9,13,23H,8,10-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVBFDVSUEHNMEFO-UHFFFAOYSA-N
XLogP1.89
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]benzamide
CID 108539137
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540155
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide (CID 108540073) is N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide is COc1ccc(CCC(=O)NCCNC(=O)c2ccccc2O)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide?
The InChIKey is VBFDVSUEHNMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-26-17-9-7-14(13-18(17)27-2)8-10-19(24)21-11-12-22-20(25)15-5-3-4-6-16(15)23/h3-7,9,13,23H,8,10-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide?
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 108540073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).