3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide

C20H23NO3 — CID 27647355

IUPAC3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3,(H,21,22)
InChIKeyVRWOVNIQUJSYRF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.62
Rot. Bonds9

About 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide

3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide (PubChem CID 27647355) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
PubChem CID27647355
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3,(H,21,22)
InChIKeyVRWOVNIQUJSYRF-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24551293
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide (CID 27647355) is 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCCCc2ccccc2)cc1OC.
What is the InChIKey of 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide?
The InChIKey is VRWOVNIQUJSYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-14-24-18-12-11-17(15-19(18)23-2)20(22)21-13-7-10-16-8-5-4-6-9-16/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3,(H,21,22).
What are the key properties of 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27647355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).