N,N-diethyl-2-methyl-6-propanoylbenzamide

C15H21NO2 — CID 15867089

IUPACN,N-diethyl-2-methyl-6-propanoylbenzamide
SMILESCCC(=O)c1cccc(C)c1C(=O)N(CC)CC
InChIInChI=1S/C15H21NO2/c1-5-13(17)12-10-8-9-11(4)14(12)15(18)16(6-2)7-3/h8-10H,5-7H2,1-4H3
InChIKeyDXWQLTIYDPIERB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds5

About N,N-diethyl-2-methyl-6-propanoylbenzamide

N,N-diethyl-2-methyl-6-propanoylbenzamide (PubChem CID 15867089) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-6-propanoylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-6-propanoylbenzamide
PubChem CID15867089
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,N-diethyl-2-methyl-6-propanoylbenzamide
SMILESCCC(=O)c1cccc(C)c1C(=O)N(CC)CC
InChIInChI=1S/C15H21NO2/c1-5-13(17)12-10-8-9-11(4)14(12)15(18)16(6-2)7-3/h8-10H,5-7H2,1-4H3
InChIKeyDXWQLTIYDPIERB-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
CID 67628353
2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide
CID 25179562
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
1-(2-methyl-6-sulfanylphenyl)propan-1-one
CID 130776654
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-6-propanoylbenzamide?
The IUPAC name of N,N-diethyl-2-methyl-6-propanoylbenzamide (CID 15867089) is N,N-diethyl-2-methyl-6-propanoylbenzamide.
What is the SMILES notation for N,N-diethyl-2-methyl-6-propanoylbenzamide?
The canonical SMILES for N,N-diethyl-2-methyl-6-propanoylbenzamide is CCC(=O)c1cccc(C)c1C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methyl-6-propanoylbenzamide?
The InChIKey is DXWQLTIYDPIERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-13(17)12-10-8-9-11(4)14(12)15(18)16(6-2)7-3/h8-10H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-6-propanoylbenzamide?
N,N-diethyl-2-methyl-6-propanoylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-6-propanoylbenzamide is sourced from PubChem (CID 15867089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).