N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C25H31FN2O4 — CID 58927141

IUPACN-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C/C(C)=C/c2ccc(F)cc2)CC2CCCN2)cc(OC)c1OC
InChIInChI=1S/C25H31FN2O4/c1-17(12-18-7-9-20(26)10-8-18)15-28(16-21-6-5-11-27-21)25(29)19-13-22(30-2)24(32-4)23(14-19)31-3/h7-10,12-14,21,27H,5-6,11,15-16H2,1-4H3/b17-12+
InChIKeyLTROPTFFXYSDEQ-SFQUDFHCSA-N
MW442.53 g/mol
LogP4.15
Rot. Bonds9

About N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 58927141) has the molecular formula C25H31FN2O4 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID58927141
Molecular FormulaC25H31FN2O4
Molecular Weight442.53 g/mol
Exact Mass442.23
IUPAC NameN-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C/C(C)=C/c2ccc(F)cc2)CC2CCCN2)cc(OC)c1OC
InChIInChI=1S/C25H31FN2O4/c1-17(12-18-7-9-20(26)10-8-18)15-28(16-21-6-5-11-27-21)25(29)19-13-22(30-2)24(32-4)23(14-19)31-3/h7-10,12-14,21,27H,5-6,11,15-16H2,1-4H3/b17-12+
InChIKeyLTROPTFFXYSDEQ-SFQUDFHCSA-N
XLogP4.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 159892088
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-phenyl-1-pyrrolidin-2-ylethyl)benzamide
CID 68682146
N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxybenzamide
CID 59131210
N-[cyclopentyl(pyrrolidin-2-yl)methyl]-N-[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxybenzamide
CID 91028666
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 68703499
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 10076452
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-[(1-heptanoylpiperidin-4-yl)methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42705612
tert-butyl 4-[(2R)-2-[[[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-(3,4,5-trimethoxybenzoyl)amino]methyl]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 68681944

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 58927141) is N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is COc1cc(C(=O)N(C/C(C)=C/c2ccc(F)cc2)CC2CCCN2)cc(OC)c1OC.
What is the InChIKey of N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is LTROPTFFXYSDEQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H31FN2O4/c1-17(12-18-7-9-20(26)10-8-18)15-28(16-21-6-5-11-27-21)25(29)19-13-22(30-2)24(32-4)23(14-19)31-3/h7-10,12-14,21,27H,5-6,11,15-16H2,1-4H3/b17-12+.
What are the key properties of N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 442.53 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 58927141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).