2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide

C25H26N2O2 — CID 113161511

IUPAC2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccccc1C
InChIInChI=1S/C25H26N2O2/c1-20-11-9-10-14-23(20)18-26(21(2)28)19-25(29)27(24-15-7-4-8-16-24)17-22-12-5-3-6-13-22/h3-16H,17-19H2,1-2H3
InChIKeyODAQUMMCVXJYII-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.58
Rot. Bonds7

About 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide (PubChem CID 113161511) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
PubChem CID113161511
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccccc1C
InChIInChI=1S/C25H26N2O2/c1-20-11-9-10-14-23(20)18-26(21(2)28)19-25(29)27(24-15-7-4-8-16-24)17-22-12-5-3-6-13-22/h3-16H,17-19H2,1-2H3
InChIKeyODAQUMMCVXJYII-UHFFFAOYSA-N
XLogP4.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-ethyl-N-phenylacetamide
CID 113162234
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 55358303
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 113161382
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
3-[acetyl(furan-2-ylmethyl)amino]-N-benzyl-N-phenylpropanamide
CID 113118141
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide (CID 113161511) is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccccc1C.
What is the InChIKey of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide?
The InChIKey is ODAQUMMCVXJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-20-11-9-10-14-23(20)18-26(21(2)28)19-25(29)27(24-15-7-4-8-16-24)17-22-12-5-3-6-13-22/h3-16H,17-19H2,1-2H3.
What are the key properties of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide?
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide has a molecular weight of 386.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 113161511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).