3-(4-tert-butylphenyl)-N-ethylprop-2-enamide

C15H21NO — CID 873754

IUPAC3-(4-tert-butylphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-16-14(17)11-8-12-6-9-13(10-7-12)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyBOYNOHUOCQDZKH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide

3-(4-tert-butylphenyl)-N-ethylprop-2-enamide (PubChem CID 873754) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-ethylprop-2-enamide
PubChem CID873754
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(4-tert-butylphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-16-14(17)11-8-12-6-9-13(10-7-12)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyBOYNOHUOCQDZKH-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide (CID 873754) is 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide?
The InChIKey is BOYNOHUOCQDZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-16-14(17)11-8-12-6-9-13(10-7-12)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of 3-(4-tert-butylphenyl)-N-ethylprop-2-enamide?
3-(4-tert-butylphenyl)-N-ethylprop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.13, 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-ethylprop-2-enamide is sourced from PubChem (CID 873754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).