2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide

C22H31N3O — CID 91070508

IUPAC2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NCCc2ccccc2)c1C
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)16-21(26)24-22-17(3)12-13-20(18(22)4)23-15-14-19-10-8-7-9-11-19/h7-13,23H,5-6,14-16H2,1-4H3,(H,24,26)
InChIKeyYMKGMGJQPTUVFP-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.24
Rot. Bonds9

About 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide

2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide (PubChem CID 91070508) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
PubChem CID91070508
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NCCc2ccccc2)c1C
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)16-21(26)24-22-17(3)12-13-20(18(22)4)23-15-14-19-10-8-7-9-11-19/h7-13,23H,5-6,14-16H2,1-4H3,(H,24,26)
InChIKeyYMKGMGJQPTUVFP-UHFFFAOYSA-N
XLogP4.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
CID 143018137
2-(diethylamino)-N-[2,6-dimethyl-3-(1-phenylethylcarbamoylamino)phenyl]acetamide
CID 91128420
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
CID 67352086
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
CID 170903365
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide
CID 91060611
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
2-(diethylamino)-N-[3-(4-fluorophenyl)-2,6-dimethylphenyl]acetamide
CID 165436471

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide (CID 91070508) is 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide is CCN(CC)CC(=O)Nc1c(C)ccc(NCCc2ccccc2)c1C.
What is the InChIKey of 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide?
The InChIKey is YMKGMGJQPTUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-25(6-2)16-21(26)24-22-17(3)12-13-20(18(22)4)23-15-14-19-10-8-7-9-11-19/h7-13,23H,5-6,14-16H2,1-4H3,(H,24,26).
What are the key properties of 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide?
2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide is sourced from PubChem (CID 91070508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).