(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide

C19H27NO — CID 1322783

IUPAC(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-19(2,3)16-12-9-15(10-13-16)11-14-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-11+
InChIKeyFAXVVUOJXBNKTJ-SDNWHVSQSA-N
MW285.43 g/mol
LogP4.45
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide (PubChem CID 1322783) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
PubChem CID1322783
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-19(2,3)16-12-9-15(10-13-16)11-14-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-11+
InChIKeyFAXVVUOJXBNKTJ-SDNWHVSQSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide
CID 56559146
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide (CID 1322783) is (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide?
The InChIKey is FAXVVUOJXBNKTJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H27NO/c1-19(2,3)16-12-9-15(10-13-16)11-14-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,20,21)/b14-11+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide has a molecular weight of 285.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 1322783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).