N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen

C15H23NO — CID 159338969

IUPACN-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
SMILESCc1cc(C(=O)NC2CCC2)ccc1C(C)C.[H][H]
InChIInChI=1S/C15H21NO.H2/c1-10(2)14-8-7-12(9-11(14)3)15(17)16-13-5-4-6-13;/h7-10,13H,4-6H2,1-3H3,(H,16,17);1H
InChIKeyLFWZPSKSJGTZOH-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.65
Rot. Bonds3

About N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen

N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen (PubChem CID 159338969) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
PubChem CID159338969
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
SMILESCc1cc(C(=O)NC2CCC2)ccc1C(C)C.[H][H]
InChIInChI=1S/C15H21NO.H2/c1-10(2)14-8-7-12(9-11(14)3)15(17)16-13-5-4-6-13;/h7-10,13H,4-6H2,1-3H3,(H,16,17);1H
InChIKeyLFWZPSKSJGTZOH-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen?
The IUPAC name of N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen (CID 159338969) is N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen.
What is the SMILES notation for N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen?
The canonical SMILES for N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen is Cc1cc(C(=O)NC2CCC2)ccc1C(C)C.[H][H].
What is the InChIKey of N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen?
The InChIKey is LFWZPSKSJGTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.H2/c1-10(2)14-8-7-12(9-11(14)3)15(17)16-13-5-4-6-13;/h7-10,13H,4-6H2,1-3H3,(H,16,17);1H.
What are the key properties of N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen?
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen has a molecular weight of 233.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen is sourced from PubChem (CID 159338969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).