3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide

C32H38N2O4 — CID 68682146

IUPAC3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)=Cc2ccccc2)C(Cc2ccccc2)C2CCCN2)cc(OC)c1OC
InChIInChI=1S/C32H38N2O4/c1-23(18-24-12-7-5-8-13-24)22-34(28(27-16-11-17-33-27)19-25-14-9-6-10-15-25)32(35)26-20-29(36-2)31(38-4)30(21-26)37-3/h5-10,12-15,18,20-21,27-28,33H,11,16-17,19,22H2,1-4H3
InChIKeyVZTPXHRJNWGDIM-UHFFFAOYSA-N
MW514.67 g/mol
LogP5.62
Rot. Bonds11

About 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide

3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide (PubChem CID 68682146) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide
PubChem CID68682146
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)=Cc2ccccc2)C(Cc2ccccc2)C2CCCN2)cc(OC)c1OC
InChIInChI=1S/C32H38N2O4/c1-23(18-24-12-7-5-8-13-24)22-34(28(27-16-11-17-33-27)19-25-14-9-6-10-15-25)32(35)26-20-29(36-2)31(38-4)30(21-26)37-3/h5-10,12-15,18,20-21,27-28,33H,11,16-17,19,22H2,1-4H3
InChIKeyVZTPXHRJNWGDIM-UHFFFAOYSA-N
XLogP5.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)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

N-[cyclopentyl(pyrrolidin-2-yl)methyl]-N-[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxybenzamide
CID 91028666
N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 58927141
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 68703499
N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 10006833
N-[3-(3-benzylpiperazin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 87539342
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42700768
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 160848606
3,4,5-trimethoxy-N-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 91252358
N-[(1S)-2-(4-aminocyclohexyl)-1-pyrrolidin-2-ylethyl]-N-[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide;dihydrochloride
CID 69175273
N-[(1-heptanoylpiperidin-4-yl)methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42705612
(2S)-N,N-dimethyl-1-[3-[(2-methyl-3-phenylprop-2-enyl)-(3,4,5-trimethoxybenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 68682739

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide (CID 68682146) is 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide is COc1cc(C(=O)N(CC(C)=Cc2ccccc2)C(Cc2ccccc2)C2CCCN2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is VZTPXHRJNWGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O4/c1-23(18-24-12-7-5-8-13-24)22-34(28(27-16-11-17-33-27)19-25-14-9-6-10-15-25)32(35)26-20-29(36-2)31(38-4)30(21-26)37-3/h5-10,12-15,18,20-21,27-28,33H,11,16-17,19,22H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 514.67 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 68682146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).