2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

C20H25N3O2 — CID 134045987

IUPAC2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-21(2)19(24)15-22(3)16-20(25)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyUMLXNGNQMHWJQD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds7

About 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 134045987) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
PubChem CID134045987
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-21(2)19(24)15-22(3)16-20(25)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyUMLXNGNQMHWJQD-UHFFFAOYSA-N
XLogP2.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
2-[[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 18088502
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
CID 113161511

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (CID 134045987) is 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is UMLXNGNQMHWJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21(2)19(24)15-22(3)16-20(25)23(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3.
What are the key properties of 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 339.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 134045987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).