2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide

C15H24N2O — CID 113350546

IUPAC2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-6-17(5)15(18)10-16-13(4)14-8-7-11(2)12(3)9-14/h7-9,13,16H,6,10H2,1-5H3
InChIKeyDONCMBDAVZMQAX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide

2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide (PubChem CID 113350546) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
PubChem CID113350546
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-6-17(5)15(18)10-16-13(4)14-8-7-11(2)12(3)9-14/h7-9,13,16H,6,10H2,1-5H3
InChIKeyDONCMBDAVZMQAX-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
CID 107799705
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 8636912
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[1-(3,4-dimethylphenyl)ethyl]-1,1-dimethylhydrazine
CID 83004020
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide (CID 113350546) is 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide?
The InChIKey is DONCMBDAVZMQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-17(5)15(18)10-16-13(4)14-8-7-11(2)12(3)9-14/h7-9,13,16H,6,10H2,1-5H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide?
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 113350546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).