N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide

C20H26N2O — CID 108997433

IUPACN-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
SMILESCCc1cccc(CC)c1NCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-17-12-9-13-18(5-2)20(17)21-14-19(23)22(3)15-16-10-7-6-8-11-16/h6-13,21H,4-5,14-15H2,1-3H3
InChIKeyVYPSIEBRTAHAKD-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.88
Rot. Bonds7

About N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide

N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide (PubChem CID 108997433) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
PubChem CID108997433
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
SMILESCCc1cccc(CC)c1NCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-17-12-9-13-18(5-2)20(17)21-14-19(23)22(3)15-16-10-7-6-8-11-16/h6-13,21H,4-5,14-15H2,1-3H3
InChIKeyVYPSIEBRTAHAKD-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
N-cyclopropyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 62327514
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631787
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide (CID 108997433) is N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide is CCc1cccc(CC)c1NCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide?
The InChIKey is VYPSIEBRTAHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-17-12-9-13-18(5-2)20(17)21-14-19(23)22(3)15-16-10-7-6-8-11-16/h6-13,21H,4-5,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide?
N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide has a molecular weight of 310.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide is sourced from PubChem (CID 108997433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).