3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

C23H27NO — CID 76617104

IUPAC3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H27NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h6,8,10-16H,4-5,7,9H2,1-3H3,(H,24,25)
InChIKeyMJOYBOTXXVVNEP-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.51
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (PubChem CID 76617104) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
PubChem CID76617104
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H27NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h6,8,10-16H,4-5,7,9H2,1-3H3,(H,24,25)
InChIKeyMJOYBOTXXVVNEP-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.51
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-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 16545693
(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
CID 47131724
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate
CID 7218047
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
2-[[(E)-3-[4-(2,3-dihydro-1H-inden-4-yl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 142690906
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
(E)-3-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2177723

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (CID 76617104) is 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is CC(C)(C)c1ccc(C=CC(=O)Nc2cccc3c2CCCC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The InChIKey is MJOYBOTXXVVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h6,8,10-16H,4-5,7,9H2,1-3H3,(H,24,25).
What are the key properties of 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide has a molecular weight of 333.48 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 76617104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).