N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide

C19H24N2O3 — CID 140562324

IUPACN-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide
SMILESCC(C=CC(=O)NO)=CC(C)C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(5-10-18(22)20-24)13-15(2)19(23)16-6-8-17(9-7-16)21-11-3-4-12-21/h5-10,13,15,24H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyOETVLWZBCYWGJE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.11
Rot. Bonds6

About N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide

N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide (PubChem CID 140562324) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide.

Molecular Properties

Compound NameN-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide
PubChem CID140562324
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide
SMILESCC(C=CC(=O)NO)=CC(C)C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(5-10-18(22)20-24)13-15(2)19(23)16-6-8-17(9-7-16)21-11-3-4-12-21/h5-10,13,15,24H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyOETVLWZBCYWGJE-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.11
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide?
The IUPAC name of N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide (CID 140562324) is N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide.
What is the SMILES notation for N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide?
The canonical SMILES for N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide is CC(C=CC(=O)NO)=CC(C)C(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide?
The InChIKey is OETVLWZBCYWGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(5-10-18(22)20-24)13-15(2)19(23)16-6-8-17(9-7-16)21-11-3-4-12-21/h5-10,13,15,24H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide?
N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide has a molecular weight of 328.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4,6-dimethyl-7-oxo-7-(4-pyrrolidin-1-ylphenyl)hepta-2,4-dienamide is sourced from PubChem (CID 140562324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).