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

C18H24N2O3 — CID 11162880

IUPACN-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(19-23)12-11-16-10-6-14-20(18(16)22)13-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,10,23H,4-6,9,11-14H2,(H,19,21)
InChIKeyIQKQOGJGXHVVNI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds8

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

N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 11162880) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
PubChem CID11162880
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
SMILESO=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(19-23)12-11-16-10-6-14-20(18(16)22)13-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,10,23H,4-6,9,11-14H2,(H,19,21)
InChIKeyIQKQOGJGXHVVNI-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 72734543
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N-hydroxy-6-[[(E)-5-phenylpent-4-enoyl]amino]hexanamide
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(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
CID 9879458
N-hydroxy-6-[[(E)-3-phenylprop-2-enoyl]amino]hexanamide
CID 9882059
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
N1-hydroxy-2-isobutyl-N3-(3-phenylpropyl)malonamide
CID 10851204
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11150492
N-hydroxy-3-[1-(2-naphthalen-1-ylethyl)-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11151483
N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11185330
N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11208082

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide (CID 11162880) is N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide is O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is IQKQOGJGXHVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-23)12-11-16-10-6-14-20(18(16)22)13-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,10,23H,4-6,9,11-14H2,(H,19,21).
What are the key properties of N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide 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-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 11162880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).