2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C19H23NO5 — CID 94043014

IUPAC2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C)c(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-12-17(21)20-11-14-9-10-16(22-2)19(24-4)18(14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyHPCJYFOEVRKVPD-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.72
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 94043014) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID94043014
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C)c(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-12-17(21)20-11-14-9-10-16(22-2)19(24-4)18(14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyHPCJYFOEVRKVPD-UHFFFAOYSA-N
XLogP2.72
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 94043014) is 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccccc2C)c(OC)c1OC.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is HPCJYFOEVRKVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-12-17(21)20-11-14-9-10-16(22-2)19(24-4)18(14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 94043014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).