2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide

C16H21NO3 — CID 720349

IUPAC2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-5-9-17(10-6-2)16(18)12-13-7-8-14(19-3)15(11-13)20-4/h5-8,11H,1-2,9-10,12H2,3-4H3
InChIKeyVBILPUMAKBSAAK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.45
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 720349) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID720349
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-5-9-17(10-6-2)16(18)12-13-7-8-14(19-3)15(11-13)20-4/h5-8,11H,1-2,9-10,12H2,3-4H3
InChIKeyVBILPUMAKBSAAK-UHFFFAOYSA-N
XLogP2.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.45
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-phenyl-N-prop-2-enylacetamide
CID 52564335
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16996037
N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4976318

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide (CID 720349) is 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is VBILPUMAKBSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-9-17(10-6-2)16(18)12-13-7-8-14(19-3)15(11-13)20-4/h5-8,11H,1-2,9-10,12H2,3-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide?
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.45, 8 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,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 720349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).