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

C20H25NO6 — CID 94049685

IUPAC(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H25NO6/c1-13(27-16-9-7-15(23-2)8-10-16)20(22)21-12-14-6-11-17(24-3)19(26-5)18(14)25-4/h6-11,13H,12H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyRGGYQVDEZWZPTI-ZDUSSCGKSA-N
MW375.42 g/mol
LogP2.80
Rot. Bonds9

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

(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (PubChem CID 94049685) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
PubChem CID94049685
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H25NO6/c1-13(27-16-9-7-15(23-2)8-10-16)20(22)21-12-14-6-11-17(24-3)19(26-5)18(14)25-4/h6-11,13H,12H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyRGGYQVDEZWZPTI-ZDUSSCGKSA-N
XLogP2.80
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(4-methoxyphenoxy)-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

2-(3-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43910190
2-naphthalen-1-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132660138
2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43876908
2-(2-chlorophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132656973
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55517677
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (CID 94049685) is (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is COc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The InChIKey is RGGYQVDEZWZPTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25NO6/c1-13(27-16-9-7-15(23-2)8-10-16)20(22)21-12-14-6-11-17(24-3)19(26-5)18(14)25-4/h6-11,13H,12H2,1-5H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide has a molecular weight of 375.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 94049685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).