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

C18H21NO4 — CID 46590636

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-21-15-9-7-13(8-10-15)11-17(20)19-12-14-5-4-6-16(22-2)18(14)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyJCPYLANJBHWORJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.57
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46590636) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID46590636
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-21-15-9-7-13(8-10-15)11-17(20)19-12-14-5-4-6-16(22-2)18(14)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyJCPYLANJBHWORJ-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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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide (CID 46590636) is N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2cccc(OC)c2OC)cc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JCPYLANJBHWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-9-7-13(8-10-15)11-17(20)19-12-14-5-4-6-16(22-2)18(14)23-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)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 N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46590636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).