5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide

C25H33NO6 — CID 58219016

IUPAC5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide
SMILESCC/C=C\CC(=O)CCCOCCOCCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1
InChIInChI=1S/C25H33NO6/c1-3-4-6-12-21(27)13-9-15-30-17-18-31-16-14-26-24(29)22-19-23(28)25(2,32-22)20-10-7-5-8-11-20/h4-8,10-11,19H,3,9,12-18H2,1-2H3,(H,26,29)/b6-4-
InChIKeyZYLIKTPEOYNRKU-XQRVVYSFSA-N
MW443.54 g/mol
LogP3.24
Rot. Bonds15

About 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide

5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide (PubChem CID 58219016) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide
PubChem CID58219016
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Name5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide
SMILESCC/C=C\CC(=O)CCCOCCOCCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1
InChIInChI=1S/C25H33NO6/c1-3-4-6-12-21(27)13-9-15-30-17-18-31-16-14-26-24(29)22-19-23(28)25(2,32-22)20-10-7-5-8-11-20/h4-8,10-11,19H,3,9,12-18H2,1-2H3,(H,26,29)/b6-4-
InChIKeyZYLIKTPEOYNRKU-XQRVVYSFSA-N
XLogP3.24
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[4-(4-methoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 476912
N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 126480017
[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate
CID 139251079
[(2S)-1-acetamidopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 139251080
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
CID 7683795
[(E,2S)-2-acetamidopent-3-enyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10067001
[(E,2S)-2-acetamidopent-3-enyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10338492
5-((2-fluorobenzyl)oxy)-N-(2-methoxyethyl)-4-oxo-4H-pyran-2-carboxamide
CID 75488922
5-(benzyloxy)-N-isopropyl-4-oxo-4H-pyran-2-carboxamide
CID 42226901
2,6-dimethyl-6-(phenylmethoxymethyl)-N-prop-2-enyloxane-2-carboxamide
CID 13647277
4-(Prop-2-enoylamino)butyl 2,2-diphenyl-2-[4-(prop-2-enoylamino)butoxy]acetate
CID 20214527
N-(2-(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenamidoethyl)-5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-carboxamide
CID 51348449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide (CID 58219016) is 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide is CC/C=C\CC(=O)CCCOCCOCCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1.
What is the InChIKey of 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide?
The InChIKey is ZYLIKTPEOYNRKU-XQRVVYSFSA-N. The full InChI is InChI=1S/C25H33NO6/c1-3-4-6-12-21(27)13-9-15-30-17-18-31-16-14-26-24(29)22-19-23(28)25(2,32-22)20-10-7-5-8-11-20/h4-8,10-11,19H,3,9,12-18H2,1-2H3,(H,26,29)/b6-4-.
What are the key properties of 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide?
5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 3.24, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[2-[2-[(Z)-4-oxonon-6-enoxy]ethoxy]ethyl]-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 58219016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).