N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide

C19H27NO — CID 59811420

IUPACN-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-13+
InChIKeyYBCQFZBHZJJQIQ-BUHFOSPRSA-N
MW285.43 g/mol
LogP4.81
Rot. Bonds3

About N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide

N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide (PubChem CID 59811420) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
PubChem CID59811420
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-13+
InChIKeyYBCQFZBHZJJQIQ-BUHFOSPRSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
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CID 3995245
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
CID 76943368
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide (CID 59811420) is N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide is CC(C)(C)/C=C/c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide?
The InChIKey is YBCQFZBHZJJQIQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H27NO/c1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-13+.
What are the key properties of N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide?
N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide has a molecular weight of 285.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide is sourced from PubChem (CID 59811420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).