2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H21NO4 — CID 795361

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-15-7-5-4-6-14(15)12-19-18(20)11-13-8-9-16(22-2)17(10-13)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyBQDVEOONGYMQQU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.57
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 795361) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID795361
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-15-7-5-4-6-14(15)12-19-18(20)11-13-8-9-16(22-2)17(10-13)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyBQDVEOONGYMQQU-UHFFFAOYSA-N
XLogP2.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 795361) is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BQDVEOONGYMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-7-5-4-6-14(15)12-19-18(20)11-13-8-9-16(22-2)17(10-13)23-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).