3-tert-butyl-N-cyclopropylbenzamide

C14H19NO — CID 59732225

IUPAC3-tert-butyl-N-cyclopropylbenzamide
SMILESCC(C)(C)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,15,16)
InChIKeyATTAGLOFHSJHTI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.88
Rot. Bonds2

About 3-tert-butyl-N-cyclopropylbenzamide

3-tert-butyl-N-cyclopropylbenzamide (PubChem CID 59732225) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-N-cyclopropylbenzamide
PubChem CID59732225
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-tert-butyl-N-cyclopropylbenzamide
SMILESCC(C)(C)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,15,16)
InChIKeyATTAGLOFHSJHTI-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide
CID 134476073
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclopropylbenzamide?
The IUPAC name of 3-tert-butyl-N-cyclopropylbenzamide (CID 59732225) is 3-tert-butyl-N-cyclopropylbenzamide.
What is the SMILES notation for 3-tert-butyl-N-cyclopropylbenzamide?
The canonical SMILES for 3-tert-butyl-N-cyclopropylbenzamide is CC(C)(C)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-tert-butyl-N-cyclopropylbenzamide?
The InChIKey is ATTAGLOFHSJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-N-cyclopropylbenzamide?
3-tert-butyl-N-cyclopropylbenzamide has a molecular weight of 217.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cyclopropylbenzamide is sourced from PubChem (CID 59732225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).