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

C21H25NO — CID 3637255

IUPAC3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25NO/c1-5-17-8-6-7-9-19(17)22-20(23)15-12-16-10-13-18(14-11-16)21(2,3)4/h6-15H,5H2,1-4H3,(H,22,23)
InChIKeyBLIRDINUAYWZIU-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.20
Rot. Bonds4

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

3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 3637255) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
PubChem CID3637255
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25NO/c1-5-17-8-6-7-9-19(17)22-20(23)15-12-16-10-13-18(14-11-16)21(2,3)4/h6-15H,5H2,1-4H3,(H,22,23)
InChIKeyBLIRDINUAYWZIU-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.20
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-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 3659907
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
(E)-3-(4-tert-butylphenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 108771243
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide (CID 3637255) is 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is BLIRDINUAYWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-5-17-8-6-7-9-19(17)22-20(23)15-12-16-10-13-18(14-11-16)21(2,3)4/h6-15H,5H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 307.44 g/mol, XLogP of 5.20, 4 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-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 3637255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).