2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide

C24H26N2O — CID 18230288

IUPAC2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O/c1-19-11-13-21(14-12-19)16-25-24(27)18-26(17-22-8-4-3-5-9-22)23-10-6-7-20(2)15-23/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyVLYZKCOYHOYRLB-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.63
Rot. Bonds7

About 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 18230288) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID18230288
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O/c1-19-11-13-21(14-12-19)16-25-24(27)18-26(17-22-8-4-3-5-9-22)23-10-6-7-20(2)15-23/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyVLYZKCOYHOYRLB-UHFFFAOYSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18145118
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
CID 78825845
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
CID 18291286
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 18230288) is 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(Cc2ccccc2)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VLYZKCOYHOYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-19-11-13-21(14-12-19)16-25-24(27)18-26(17-22-8-4-3-5-9-22)23-10-6-7-20(2)15-23/h3-15H,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 18230288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).