N,3-diethyl-N-methylbenzamide

C12H17NO — CID 89250993

IUPACN,3-diethyl-N-methylbenzamide
SMILESCCc1cccc(C(=O)N(C)CC)c1
InChIInChI=1S/C12H17NO/c1-4-10-7-6-8-11(9-10)12(14)13(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyWIDBZDJWYBIXIY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds3

About N,3-diethyl-N-methylbenzamide

N,3-diethyl-N-methylbenzamide (PubChem CID 89250993) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,3-diethyl-N-methylbenzamide.

Molecular Properties

Compound NameN,3-diethyl-N-methylbenzamide
PubChem CID89250993
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,3-diethyl-N-methylbenzamide
SMILESCCc1cccc(C(=O)N(C)CC)c1
InChIInChI=1S/C12H17NO/c1-4-10-7-6-8-11(9-10)12(14)13(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyWIDBZDJWYBIXIY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,3-diethyl-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-ethyl-N-methyl-N-naphthalen-1-ylbenzamide
CID 90124264
3-ethylbenzoic acid;propane
CID 177324794
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
chloro 3-ethylbenzoate
CID 142246460
3-ethyl-N-methylbenzamide
CID 59115297

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-methylbenzamide?
The IUPAC name of N,3-diethyl-N-methylbenzamide (CID 89250993) is N,3-diethyl-N-methylbenzamide.
What is the SMILES notation for N,3-diethyl-N-methylbenzamide?
The canonical SMILES for N,3-diethyl-N-methylbenzamide is CCc1cccc(C(=O)N(C)CC)c1.
What is the InChIKey of N,3-diethyl-N-methylbenzamide?
The InChIKey is WIDBZDJWYBIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-7-6-8-11(9-10)12(14)13(3)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of N,3-diethyl-N-methylbenzamide?
N,3-diethyl-N-methylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-methylbenzamide is sourced from PubChem (CID 89250993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).