3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C14H20N2O2 — CID 27256307

IUPAC3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-5-15-13(17)9-16-14(18)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyLAOLKBBEXTUFKW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds5

About 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 27256307) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID27256307
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-5-15-13(17)9-16-14(18)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyLAOLKBBEXTUFKW-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 99606290
methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
CID 31840736
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 27256307) is 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is LAOLKBBEXTUFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-15-13(17)9-16-14(18)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 27256307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).