3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide

C21H25NO3 — CID 35806874

IUPAC3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO3/c1-4-9-17-14-18(15-19(24-2)20(17)25-3)21(23)22-13-8-12-16-10-6-5-7-11-16/h4-7,10-11,14-15H,1,8-9,12-13H2,2-3H3,(H,22,23)
InChIKeyKVHMWIMZMHZMHL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds9

About 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide (PubChem CID 35806874) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
PubChem CID35806874
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H25NO3/c1-4-9-17-14-18(15-19(24-2)20(17)25-3)21(23)22-13-8-12-16-10-6-5-7-11-16/h4-7,10-11,14-15H,1,8-9,12-13H2,2-3H3,(H,22,23)
InChIKeyKVHMWIMZMHZMHL-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
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

N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide (CID 35806874) is 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide?
The InChIKey is KVHMWIMZMHZMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-9-17-14-18(15-19(24-2)20(17)25-3)21(23)22-13-8-12-16-10-6-5-7-11-16/h4-7,10-11,14-15H,1,8-9,12-13H2,2-3H3,(H,22,23).
What are the key properties of 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 35806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).