(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide

C23H23NO — CID 6273647

IUPAC(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)20-12-8-17(9-13-20)10-15-22(25)24-21-14-11-18-6-4-5-7-19(18)16-21/h4-16H,1-3H3,(H,24,25)/b15-10+
InChIKeyKUQWQGVIPNJDJR-XNTDXEJSSA-N
MW329.44 g/mol
LogP5.79
Rot. Bonds3

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

(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 6273647) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID6273647
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)20-12-8-17(9-13-20)10-15-22(25)24-21-14-11-18-6-4-5-7-19(18)16-21/h4-16H,1-3H3,(H,24,25)/b15-10+
InChIKeyKUQWQGVIPNJDJR-XNTDXEJSSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.79
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

N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide (CID 6273647) is (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is KUQWQGVIPNJDJR-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(2,3)20-12-8-17(9-13-20)10-15-22(25)24-21-14-11-18-6-4-5-7-19(18)16-21/h4-16H,1-3H3,(H,24,25)/b15-10+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 5.79, 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-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 6273647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).