N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide

C18H24N2O3 — CID 11483913

IUPACN-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide
SMILESO=C(CCCC1=CCCN(CCCc2ccccc2)C1=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(19-23)12-4-10-16-11-6-14-20(18(16)22)13-5-9-15-7-2-1-3-8-15/h1-3,7-8,11,23H,4-6,9-10,12-14H2,(H,19,21)
InChIKeyKHVZGSOUKKFYJU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds8

About N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide

N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide (PubChem CID 11483913) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide
PubChem CID11483913
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide
SMILESO=C(CCCC1=CCCN(CCCc2ccccc2)C1=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(19-23)12-4-10-16-11-6-14-20(18(16)22)13-5-9-15-7-2-1-3-8-15/h1-3,7-8,11,23H,4-6,9-10,12-14H2,(H,19,21)
InChIKeyKHVZGSOUKKFYJU-UHFFFAOYSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide?
The IUPAC name of N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide (CID 11483913) is N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide is O=C(CCCC1=CCCN(CCCc2ccccc2)C1=O)NO.
What is the InChIKey of N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide?
The InChIKey is KHVZGSOUKKFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-23)12-4-10-16-11-6-14-20(18(16)22)13-5-9-15-7-2-1-3-8-15/h1-3,7-8,11,23H,4-6,9-10,12-14H2,(H,19,21).
What are the key properties of N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide?
N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide has a molecular weight of 316.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[6-oxo-1-(3-phenylpropyl)-2,3-dihydropyridin-5-yl]butanamide is sourced from PubChem (CID 11483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).