ethane;N,2,3-trimethylbenzamide

C12H19NO — CID 178108869

IUPACethane;N,2,3-trimethylbenzamide
SMILESCC.CNC(=O)c1cccc(C)c1C
InChIInChI=1S/C10H13NO.C2H6/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-2/h4-6H,1-3H3,(H,11,12);1-2H3
InChIKeyYWQVQELZZYOXSF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.69
Rot. Bonds1

About ethane;N,2,3-trimethylbenzamide

ethane;N,2,3-trimethylbenzamide (PubChem CID 178108869) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;N,2,3-trimethylbenzamide.

Molecular Properties

Compound Nameethane;N,2,3-trimethylbenzamide
PubChem CID178108869
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;N,2,3-trimethylbenzamide
SMILESCC.CNC(=O)c1cccc(C)c1C
InChIInChI=1S/C10H13NO.C2H6/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-2/h4-6H,1-3H3,(H,11,12);1-2H3
InChIKeyYWQVQELZZYOXSF-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
2,3-dimethylbenzohydrazide
CID 16790549
2,3-dimethylbenzamide;ethane
CID 143389789
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642
N,3-dimethyl-2-(methylideneamino)benzamide
CID 135267076
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
2,3-dimethylbenzoyl iodide
CID 87941796
ethane;1,2,3-trimethylbenzene
CID 54068667
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,3-trimethylbenzamide?
The IUPAC name of ethane;N,2,3-trimethylbenzamide (CID 178108869) is ethane;N,2,3-trimethylbenzamide.
What is the SMILES notation for ethane;N,2,3-trimethylbenzamide?
The canonical SMILES for ethane;N,2,3-trimethylbenzamide is CC.CNC(=O)c1cccc(C)c1C.
What is the InChIKey of ethane;N,2,3-trimethylbenzamide?
The InChIKey is YWQVQELZZYOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-2/h4-6H,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;N,2,3-trimethylbenzamide?
ethane;N,2,3-trimethylbenzamide has a molecular weight of 193.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,3-trimethylbenzamide is sourced from PubChem (CID 178108869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).