N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide

C16H23NO — CID 59811412

IUPACN-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23NO/c1-12(2)6-7-13-8-10-14(11-9-13)15(18)17-16(3,4)5/h6-12H,1-5H3,(H,17,18)/b7-6+
InChIKeyAURCYUJYEZQGRT-VOTSOKGWSA-N
MW245.37 g/mol
LogP3.88
Rot. Bonds3

About N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide

N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide (PubChem CID 59811412) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
PubChem CID59811412
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23NO/c1-12(2)6-7-13-8-10-14(11-9-13)15(18)17-16(3,4)5/h6-12H,1-5H3,(H,17,18)/b7-6+
InChIKeyAURCYUJYEZQGRT-VOTSOKGWSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
N-tert-butyl-4-[(1E,3Z)-4-fluorobuta-1,3-dienyl]benzamide
CID 175908847
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
4-[(1E,3E)-3-(aminomethyl)-4-fluorobuta-1,3-dienyl]-N-tert-butylbenzamide;hydrochloride
CID 142524350
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
(E,2S)-N-tert-butyl-2-hydroxy-4-(4-methylphenyl)but-3-enamide
CID 138982398
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide (CID 59811412) is N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide is CC(C)/C=C/c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide?
The InChIKey is AURCYUJYEZQGRT-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)6-7-13-8-10-14(11-9-13)15(18)17-16(3,4)5/h6-12H,1-5H3,(H,17,18)/b7-6+.
What are the key properties of N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide?
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide has a molecular weight of 245.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide is sourced from PubChem (CID 59811412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).