N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide

C18H30N2O — CID 660469

IUPACN-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O/c1-8-20(9-2)12-16(21)19-17-13(3)10-15(11-14(17)4)18(5,6)7/h10-11H,8-9,12H2,1-7H3,(H,19,21)
InChIKeyYGSPPIHKUQRPAF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.88
Rot. Bonds5

About N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide

N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide (PubChem CID 660469) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
PubChem CID660469
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O/c1-8-20(9-2)12-16(21)19-17-13(3)10-15(11-14(17)4)18(5,6)7/h10-11H,8-9,12H2,1-7H3,(H,19,21)
InChIKeyYGSPPIHKUQRPAF-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide (CID 660469) is N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The InChIKey is YGSPPIHKUQRPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-8-20(9-2)12-16(21)19-17-13(3)10-15(11-14(17)4)18(5,6)7/h10-11H,8-9,12H2,1-7H3,(H,19,21).
What are the key properties of N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide has a molecular weight of 290.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 660469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).