(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide

C19H23NO5 — CID 165368403

IUPAC(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide
SMILESC[C@@H]1CC(=O)/C(=C(\O)CCCC(=O)N(C)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H23NO5/c1-13-11-16(22)18(19(24)25-13)15(21)9-6-10-17(23)20(2)12-14-7-4-3-5-8-14/h3-5,7-8,13,21H,6,9-12H2,1-2H3/b18-15+/t13-/m1/s1
InChIKeyJDOLDNIUSGLDAO-MIKWNVPKSA-N
MW345.39 g/mol
LogP2.53
Rot. Bonds6

About (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide

(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide (PubChem CID 165368403) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide.

Molecular Properties

Compound Name(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide
PubChem CID165368403
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide
SMILESC[C@@H]1CC(=O)/C(=C(\O)CCCC(=O)N(C)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H23NO5/c1-13-11-16(22)18(19(24)25-13)15(21)9-6-10-17(23)20(2)12-14-7-4-3-5-8-14/h3-5,7-8,13,21H,6,9-12H2,1-2H3/b18-15+/t13-/m1/s1
InChIKeyJDOLDNIUSGLDAO-MIKWNVPKSA-N
XLogP2.53
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(R)-1-(4-(4-fluorophenyl)piperidin-1-yl)-5-(4-hydroxy-6-methyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)pentane-1,5-dione
CID 165368410
3-[Benzyl-(2-methyloxane-3-carbonyl)amino]propanoic acid
CID 136553511
Diethyl 2-(1-benzyl-5-ethoxycarbonyl-6-oxo-2,3-dihydropyridin-4-yl)propanedioate
CID 23628364
Ethyl 1-benzyl-4-(1-ethoxy-1-oxobutan-2-yl)-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 25171484
Ethyl 1-benzyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 101375307
1-Benzyl-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridine-3-carboxylic acid
CID 134918417
Ethyl 2-[1-benzyl-5-(hydroxymethyl)-6-oxo-2,3-dihydropyridin-4-yl]butanoate
CID 135010720
(R)-N-benzyl-5-(4-hydroxy-6-methyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-5-oxopentanamide
CID 165368402
(R)-5-(4-hydroxy-6-methyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-N-methyl-5-oxo-N-phenylpentanamide
CID 165368412
ethyl 4-[1-benzyl-4-[(E)-3-hydroxy-3-methylbut-1-enyl]-5-methyl-2-oxo-3-pyridinyl]butanoate
CID 155675106
4-[1-benzyl-5-methyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3-pyridinyl]butanoic acid
CID 175348581
4-[1-Benzyl-5-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3-pyridinyl]butanoic acid
CID 175348582

Frequently Asked Questions

What is the IUPAC name of (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide?
The IUPAC name of (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide (CID 165368403) is (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide.
What is the SMILES notation for (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide?
The canonical SMILES for (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide is C[C@@H]1CC(=O)/C(=C(\O)CCCC(=O)N(C)Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide?
The InChIKey is JDOLDNIUSGLDAO-MIKWNVPKSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-11-16(22)18(19(24)25-13)15(21)9-6-10-17(23)20(2)12-14-7-4-3-5-8-14/h3-5,7-8,13,21H,6,9-12H2,1-2H3/b18-15+/t13-/m1/s1.
What are the key properties of (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide?
(5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide has a molecular weight of 345.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-benzyl-5-hydroxy-N-methyl-5-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]pentanamide is sourced from PubChem (CID 165368403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).