4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide

C13H18N2O2 — CID 90843045

IUPAC4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,12(17)15(3)4)10-7-5-9(6-8-10)11(14)16/h5-8H,1-4H3,(H2,14,16)
InChIKeyUOBRDWYORHOXHZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds3

About 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide

4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 90843045) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID90843045
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-13(2,12(17)15(3)4)10-7-5-9(6-8-10)11(14)16/h5-8H,1-4H3,(H2,14,16)
InChIKeyUOBRDWYORHOXHZ-UHFFFAOYSA-N
XLogP1.15
TPSA63.40 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-tert-butyl-N-(4-carbamoylphenyl)benzamide
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2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
CID 143561250
potassium;benzene-1,4-dicarboxamide;hydride
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4-(N,N-dimethylcarbamimidoyl)benzamide
CID 69104062
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
S-(5-carbamoyl-2-methylphenyl) N,N-dimethylcarbamothioate
CID 20800496
chloromethane;4-fluorobenzamide
CID 158476805
4-[hydroxy(diphenyl)methyl]benzamide
CID 125464922
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide (CID 90843045) is 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide is CN(C)C(=O)C(C)(C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is UOBRDWYORHOXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,12(17)15(3)4)10-7-5-9(6-8-10)11(14)16/h5-8H,1-4H3,(H2,14,16).
What are the key properties of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide?
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 90843045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).