N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen

C15H25NO — CID 169133122

IUPACN-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)C)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-11(2)12-6-8-13(9-7-12)14(17)16-10-15(3,4)5;/h6-9,11H,10H2,1-5H3,(H,16,17);1H
InChIKeyJHCAHOARXKFFBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.83
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen

N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen (PubChem CID 169133122) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
PubChem CID169133122
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)C)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-11(2)12-6-8-13(9-7-12)14(17)16-10-15(3,4)5;/h6-9,11H,10H2,1-5H3,(H,16,17);1H
InChIKeyJHCAHOARXKFFBU-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
3-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119166883

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen?
The IUPAC name of N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen (CID 169133122) is N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen is CC(C)c1ccc(C(=O)NCC(C)(C)C)cc1.[H][H].
What is the InChIKey of N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen?
The InChIKey is JHCAHOARXKFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.H2/c1-11(2)12-6-8-13(9-7-12)14(17)16-10-15(3,4)5;/h6-9,11H,10H2,1-5H3,(H,16,17);1H.
What are the key properties of N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen?
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen has a molecular weight of 235.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen is sourced from PubChem (CID 169133122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).