3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

C19H23NO4 — CID 46587581

IUPAC3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-22-16-11-10-15(18(23-2)19(16)24-3)13-20-17(21)12-9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,20,21)
InChIKeyIYQHXEWATURFAQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.96
Rot. Bonds8

About 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (PubChem CID 46587581) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
PubChem CID46587581
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-22-16-11-10-15(18(23-2)19(16)24-3)13-20-17(21)12-9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,20,21)
InChIKeyIYQHXEWATURFAQ-UHFFFAOYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide 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-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
2-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide
CID 52694582
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043014
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (CID 46587581) is 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2ccccc2)c(OC)c1OC.
What is the InChIKey of 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The InChIKey is IYQHXEWATURFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-11-10-15(18(23-2)19(16)24-3)13-20-17(21)12-9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,20,21).
What are the key properties of 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).