2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H20N2O2 — CID 9299876

IUPAC2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-15-14(18)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyXJTTVHYJGXIKTR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds4

About 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9299876) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9299876
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-15-14(18)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyXJTTVHYJGXIKTR-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 81112176
N-[2-(1,3,2,4-dioxathiaboretan-4-ylmethylamino)-2-oxoethyl]-2,5-dimethylbenzamide;2-methylpropane
CID 142434290
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
CID 64997381

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9299876) is 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is Cc1ccc(C)c(C(=O)NCC(=O)NC(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is XJTTVHYJGXIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-13(17)8-15-14(18)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9299876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).