(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

C21H26N2O3 — CID 118737950

IUPAC(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)18-11-8-16(9-12-18)6-4-14-23-15-5-7-17(20(23)25)10-13-19(24)22-26/h5,7-13,15,26H,4,6,14H2,1-3H3,(H,22,24)/b13-10+
InChIKeyCPXIHKRVRMEQTD-JLHYYAGUSA-N
MW354.45 g/mol
LogP3.30
Rot. Bonds6

About (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 118737950) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID118737950
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)18-11-8-16(9-12-18)6-4-14-23-15-5-7-17(20(23)25)10-13-19(24)22-26/h5,7-13,15,26H,4,6,14H2,1-3H3,(H,22,24)/b13-10+
InChIKeyCPXIHKRVRMEQTD-JLHYYAGUSA-N
XLogP3.30
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 118737950) is (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is CC(C)(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1.
What is the InChIKey of (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is CPXIHKRVRMEQTD-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)18-11-8-16(9-12-18)6-4-14-23-15-5-7-17(20(23)25)10-13-19(24)22-26/h5,7-13,15,26H,4,6,14H2,1-3H3,(H,22,24)/b13-10+.
What are the key properties of (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 354.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[3-(4-tert-butylphenyl)propyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118737950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).