N-cyclobutyl-3,4-dimethylbenzamide;ethane

C15H23NO — CID 142916267

IUPACN-cyclobutyl-3,4-dimethylbenzamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-6-7-11(8-10(9)2)13(15)14-12-4-3-5-12;1-2/h6-8,12H,3-5H2,1-2H3,(H,14,15);1-2H3
InChIKeyPPOCMNBPFNJMGP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.61
Rot. Bonds2

About N-cyclobutyl-3,4-dimethylbenzamide;ethane

N-cyclobutyl-3,4-dimethylbenzamide;ethane (PubChem CID 142916267) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-cyclobutyl-3,4-dimethylbenzamide;ethane.

Molecular Properties

Compound NameN-cyclobutyl-3,4-dimethylbenzamide;ethane
PubChem CID142916267
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-cyclobutyl-3,4-dimethylbenzamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-6-7-11(8-10(9)2)13(15)14-12-4-3-5-12;1-2/h6-8,12H,3-5H2,1-2H3,(H,14,15);1-2H3
InChIKeyPPOCMNBPFNJMGP-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 46738751
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,4-dimethylbenzamide;ethane?
The IUPAC name of N-cyclobutyl-3,4-dimethylbenzamide;ethane (CID 142916267) is N-cyclobutyl-3,4-dimethylbenzamide;ethane.
What is the SMILES notation for N-cyclobutyl-3,4-dimethylbenzamide;ethane?
The canonical SMILES for N-cyclobutyl-3,4-dimethylbenzamide;ethane is CC.Cc1ccc(C(=O)NC2CCC2)cc1C.
What is the InChIKey of N-cyclobutyl-3,4-dimethylbenzamide;ethane?
The InChIKey is PPOCMNBPFNJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-9-6-7-11(8-10(9)2)13(15)14-12-4-3-5-12;1-2/h6-8,12H,3-5H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of N-cyclobutyl-3,4-dimethylbenzamide;ethane?
N-cyclobutyl-3,4-dimethylbenzamide;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,4-dimethylbenzamide;ethane is sourced from PubChem (CID 142916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).