N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide

C19H22N2O5 — CID 165437357

IUPACN-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C19H22N2O5/c22-15-12-17(26-13-16(15)23)19(25)20-11-7-2-1-6-10-18(24)21-14-8-4-3-5-9-14/h3-5,8-9,12-13,23H,1-2,6-7,10-11H2,(H,20,25)(H,21,24)
InChIKeyANCQJGQDKRVZGF-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.66
Rot. Bonds9

About N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide

N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 165437357) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
PubChem CID165437357
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C19H22N2O5/c22-15-12-17(26-13-16(15)23)19(25)20-11-7-2-1-6-10-18(24)21-14-8-4-3-5-9-14/h3-5,8-9,12-13,23H,1-2,6-7,10-11H2,(H,20,25)(H,21,24)
InChIKeyANCQJGQDKRVZGF-UHFFFAOYSA-N
XLogP2.66
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
N-methyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178516
N-isopropyl-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 7178544
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437388
N-cyclopentyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178327
N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437332
N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 166436518
2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)-N-propylacetamide
CID 7178529
6-(2-hydroxyacetamido)-N-phenylhexanamide
CID 11357542
N~1~-(2-Hydroxyethyl)-N~8~-phenyloctanediamide
CID 44356975
N-(2-fluorophenyl)-2-((6-(morpholinomethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 51052721

Frequently Asked Questions

What is the IUPAC name of N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide (CID 165437357) is N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide is O=C(CCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1.
What is the InChIKey of N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is ANCQJGQDKRVZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-15-12-17(26-13-16(15)23)19(25)20-11-7-2-1-6-10-18(24)21-14-8-4-3-5-9-14/h3-5,8-9,12-13,23H,1-2,6-7,10-11H2,(H,20,25)(H,21,24).
What are the key properties of N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide?
N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 165437357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).