2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide

C18H22N2O3 — CID 109003065

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(15-7-5-4-6-8-15)18(21)13-19-12-14-9-10-16(22-2)17(11-14)23-3/h4-11,19H,12-13H2,1-3H3
InChIKeyJQBNHVIEVIBPJJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide (PubChem CID 109003065) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
PubChem CID109003065
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(15-7-5-4-6-8-15)18(21)13-19-12-14-9-10-16(22-2)17(11-14)23-3/h4-11,19H,12-13H2,1-3H3
InChIKeyJQBNHVIEVIBPJJ-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119107695
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide (CID 109003065) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide is COc1ccc(CNCC(=O)N(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide?
The InChIKey is JQBNHVIEVIBPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(15-7-5-4-6-8-15)18(21)13-19-12-14-9-10-16(22-2)17(11-14)23-3/h4-11,19H,12-13H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 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)methylamino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 109003065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).