N,N-diethyl-3-methylbenzamide

C12H17NO — CID 4284

IUPACN,N-diethyl-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKeyMMOXZBCLCQITDF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.48
Rot. Bonds3

About N,N-diethyl-3-methylbenzamide

N,N-diethyl-3-methylbenzamide (PubChem CID 4284) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N-diethyl-3-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-methylbenzamide
PubChem CID4284
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N-diethyl-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKeyMMOXZBCLCQITDF-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzamide
CID 11954
N,N-Diethyl-2-phenylacetamide
CID 17076
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dimethylbenzamide
CID 11916

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylbenzamide?
The IUPAC name of N,N-diethyl-3-methylbenzamide (CID 4284) is N,N-diethyl-3-methylbenzamide.
What is the SMILES notation for N,N-diethyl-3-methylbenzamide?
The canonical SMILES for N,N-diethyl-3-methylbenzamide is CCN(CC)C(=O)c1cccc(C)c1.
What is the InChIKey of N,N-diethyl-3-methylbenzamide?
The InChIKey is MMOXZBCLCQITDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methylbenzamide?
N,N-diethyl-3-methylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylbenzamide is sourced from PubChem (CID 4284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).