3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

C20H25NO4 — CID 18121489

IUPAC3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C20H25NO4/c1-14-5-7-15(8-6-14)9-10-20(22)21-13-16-11-18(24-3)19(25-4)12-17(16)23-2/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)
InChIKeyMTAFKDARCPHEBO-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.27
Rot. Bonds8

About 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 18121489) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID18121489
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C20H25NO4/c1-14-5-7-15(8-6-14)9-10-20(22)21-13-16-11-18(24-3)19(25-4)12-17(16)23-2/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)
InChIKeyMTAFKDARCPHEBO-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46446575
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (CID 18121489) is 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is MTAFKDARCPHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14-5-7-15(8-6-14)9-10-20(22)21-13-16-11-18(24-3)19(25-4)12-17(16)23-2/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 18121489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).