2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide

C16H22N2O5 — CID 4925589

IUPAC2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)C(=Cc1ccc(OC)c(OC)c1)NC(C)=O
InChIInChI=1S/C16H22N2O5/c1-11(19)18-13(16(20)17-7-8-21-2)9-12-5-6-14(22-3)15(10-12)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyCBQXAEOXQGSFMI-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.94
Rot. Bonds8

About 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide

2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 4925589) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID4925589
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)C(=Cc1ccc(OC)c(OC)c1)NC(C)=O
InChIInChI=1S/C16H22N2O5/c1-11(19)18-13(16(20)17-7-8-21-2)9-12-5-6-14(22-3)15(10-12)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyCBQXAEOXQGSFMI-UHFFFAOYSA-N
XLogP0.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 54783666
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 23013597
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322
N-[1-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3841922
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
CID 23013629
2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4925504
[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 19182142
(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
CID 102005340
N-[(Z)-3-(2-methoxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2232798
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide (CID 4925589) is 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)C(=Cc1ccc(OC)c(OC)c1)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is CBQXAEOXQGSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11(19)18-13(16(20)17-7-8-21-2)9-12-5-6-14(22-3)15(10-12)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide?
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 4925589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).