N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide

C13H18N2O2 — CID 9480533

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(7-9)13(17)14-8-12(16)15(3)4/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyIISUGBHPYFOWSR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.12
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide (PubChem CID 9480533) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
PubChem CID9480533
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(7-9)13(17)14-8-12(16)15(3)4/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyIISUGBHPYFOWSR-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111802
2-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-5-methylbenzamide
CID 81111585
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
N-(3-amino-3-sulfanylidenepropyl)-2,5-dimethylbenzamide
CID 62668180
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
CID 122253963
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide (CID 9480533) is N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide?
The InChIKey is IISUGBHPYFOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(7-9)13(17)14-8-12(16)15(3)4/h5-7H,8H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 9480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).