4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C22H27NO4 — CID 59811273

IUPAC4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H27NO4/c1-5-6-7-8-16-9-11-18(12-10-16)22(24)23-15-17-13-19(25-2)21(27-4)20(14-17)26-3/h7-14H,5-6,15H2,1-4H3,(H,23,24)/b8-7+
InChIKeyZHHMSMAJAXSVLW-BQYQJAHWSA-N
MW369.46 g/mol
LogP4.46
Rot. Bonds9

About 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 59811273) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID59811273
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H27NO4/c1-5-6-7-8-16-9-11-18(12-10-16)22(24)23-15-17-13-19(25-2)21(27-4)20(14-17)26-3/h7-14H,5-6,15H2,1-4H3,(H,23,24)/b8-7+
InChIKeyZHHMSMAJAXSVLW-BQYQJAHWSA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
N-[(3-fluorophenyl)methyl]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
N-ethyl-4-[(E)-pent-1-enyl]benzamide
CID 11644211
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-pent-1-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 73067043
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 59811273) is 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is CCC/C=C/c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ZHHMSMAJAXSVLW-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-6-7-8-16-9-11-18(12-10-16)22(24)23-15-17-13-19(25-2)21(27-4)20(14-17)26-3/h7-14H,5-6,15H2,1-4H3,(H,23,24)/b8-7+.
What are the key properties of 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 59811273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).