2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide

C19H21NO3 — CID 52564335

IUPAC2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-4-12-20(16-8-6-5-7-9-16)19(21)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyDPTALYUTTPEFQY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.47
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide

2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide (PubChem CID 52564335) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
PubChem CID52564335
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-4-12-20(16-8-6-5-7-9-16)19(21)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyDPTALYUTTPEFQY-UHFFFAOYSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
3-(4-methoxyphenyl)-N-phenyl-N-prop-2-enylpropanamide
CID 52564357
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-phenyl-N-prop-2-enylacetamide
CID 55608691
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 112799993
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide (CID 52564335) is 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is DPTALYUTTPEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-12-20(16-8-6-5-7-9-16)19(21)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide?
2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 311.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 52564335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).