3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide

C25H25NO2 — CID 76617235

IUPAC3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25NO2/c1-25(2,3)20-15-12-19(13-16-20)14-17-24(27)26-21-8-7-11-23(18-21)28-22-9-5-4-6-10-22/h4-18H,1-3H3,(H,26,27)
InChIKeyIXCBEEYQBZSZRE-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.43
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 76617235) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
PubChem CID76617235
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25NO2/c1-25(2,3)20-15-12-19(13-16-20)14-17-24(27)26-21-8-7-11-23(18-21)28-22-9-5-4-6-10-22/h4-18H,1-3H3,(H,26,27)
InChIKeyIXCBEEYQBZSZRE-UHFFFAOYSA-N
XLogP6.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methoxyphenyl)prop-2-enamide
CID 6146604
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide (CID 76617235) is 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide is CC(C)(C)c1ccc(C=CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is IXCBEEYQBZSZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-25(2,3)20-15-12-19(13-16-20)14-17-24(27)26-21-8-7-11-23(18-21)28-22-9-5-4-6-10-22/h4-18H,1-3H3,(H,26,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76617235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).