2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

C20H26N2O3 — CID 4882752

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-15(16-8-6-5-7-9-16)21-20(23)14-22(2)13-17-10-11-18(24-3)12-19(17)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeySTHHCMLLBPRVLI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 4882752) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID4882752
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-15(16-8-6-5-7-9-16)21-20(23)14-22(2)13-17-10-11-18(24-3)12-19(17)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeySTHHCMLLBPRVLI-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (CID 4882752) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is COc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is STHHCMLLBPRVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(16-8-6-5-7-9-16)21-20(23)14-22(2)13-17-10-11-18(24-3)12-19(17)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4882752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).