2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid

C21H26N2O6 — CID 24761813

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
SMILESCOc1cccc(CN(C)CC(=O)NCc2ccc(C)cc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O2.C2H2O4/c1-15-7-9-16(10-8-15)12-20-19(22)14-21(2)13-17-5-4-6-18(11-17)23-3;3-1(4)2(5)6/h4-11H,12-14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyBAJLELFDCVYEFZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.91
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid

2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid (PubChem CID 24761813) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
PubChem CID24761813
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
SMILESCOc1cccc(CN(C)CC(=O)NCc2ccc(C)cc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O2.C2H2O4/c1-15-7-9-16(10-8-15)12-20-19(22)14-21(2)13-17-5-4-6-18(11-17)23-3;3-1(4)2(5)6/h4-11H,12-14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyBAJLELFDCVYEFZ-UHFFFAOYSA-N
XLogP1.91
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
N-[(3-methoxyphenyl)methyl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507219

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid (CID 24761813) is 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid is COc1cccc(CN(C)CC(=O)NCc2ccc(C)cc2)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid?
The InChIKey is BAJLELFDCVYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.C2H2O4/c1-15-7-9-16(10-8-15)12-20-19(22)14-21(2)13-17-5-4-6-18(11-17)23-3;3-1(4)2(5)6/h4-11H,12-14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid?
2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid has a molecular weight of 402.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid is sourced from PubChem (CID 24761813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).