(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide

C24H39NO5 — CID 134550106

IUPAC(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
SMILESCC(/C=C/C1CC(C)(O)CCO1)=C\CC1OC(C)C(NC(=O)/C=C\C(C)O)CC1C
InChIInChI=1S/C24H39NO5/c1-16(6-9-20-15-24(5,28)12-13-29-20)7-10-22-17(2)14-21(19(4)30-22)25-23(27)11-8-18(3)26/h6-9,11,17-22,26,28H,10,12-15H2,1-5H3,(H,25,27)/b9-6+,11-8-,16-7+
InChIKeyDYIUPRGRJBQYPC-UOEMFJLTSA-N
MW421.58 g/mol
LogP3.04
Rot. Bonds7

About (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide

(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide (PubChem CID 134550106) has the molecular formula C24H39NO5 and a molecular weight of 421.58 g/mol. Its IUPAC name is (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
PubChem CID134550106
Molecular FormulaC24H39NO5
Molecular Weight421.58 g/mol
Exact Mass421.28
IUPAC Name(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
SMILESCC(/C=C/C1CC(C)(O)CCO1)=C\CC1OC(C)C(NC(=O)/C=C\C(C)O)CC1C
InChIInChI=1S/C24H39NO5/c1-16(6-9-20-15-24(5,28)12-13-29-20)7-10-22-17(2)14-21(19(4)30-22)25-23(27)11-8-18(3)26/h6-9,11,17-22,26,28H,10,12-15H2,1-5H3,(H,25,27)/b9-6+,11-8-,16-7+
InChIKeyDYIUPRGRJBQYPC-UOEMFJLTSA-N
XLogP3.04
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide with MolForge

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Related Compounds

(Z)-N-[6-[(2E,4E)-5-(1,6-dioxaspiro[2.5]octan-5-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
CID 134550377
(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-(3-methylbut-2-enyl)oxan-3-yl]-4-hydroxypent-2-enamide
CID 126480989
[(Z)-5-[[(6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-(2-methyl-1,6-dioxaspiro[2.5]octan-5-yl)penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
CID 144618177
[(Z)-5-[[6-[(2E,4E)-5-(1,6-dioxaspiro[2.5]octan-5-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;methanamine
CID 144618209
(Z,4S)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,5S,7S)-7-(aminomethyl)-2-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-hydroxypent-2-enamide
CID 126481016
(4S)-N-[(2R,3R,5S,6S)-6-[5-[(3S,5S,7S)-7-(2-amino-2-oxoethyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-hydroxypent-2-enamide
CID 123625962
(Z,4S)-N-[(2R,3R,5S)-6-[(2E,4E)-5-[(3S,5S,7S)-7-(2-amino-2-oxoethyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-hydroxypent-2-enamide
CID 144618157
[5-[[6-[5-[6-(aminomethyl)-4-hydroxy-4-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
CID 123196703
[(Z)-5-[[6-[(2E,4E)-5-(1,6-dioxaspiro[2.5]octan-5-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;N-methylbutanamide
CID 144618249
(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R)-4-hydroxy-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
CID 143773332
(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3S,6S)-3-hydroxy-6-methoxy-6-methyl-4-methylideneoxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
CID 101135680
(Z)-4-hydroxy-N-[6-[(2E,4E)-8-(hydroxymethyl)-6-methoxy-3-methyldeca-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
CID 170047993

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide?
The IUPAC name of (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide (CID 134550106) is (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide.
What is the SMILES notation for (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide?
The canonical SMILES for (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide is CC(/C=C/C1CC(C)(O)CCO1)=C\CC1OC(C)C(NC(=O)/C=C\C(C)O)CC1C.
What is the InChIKey of (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide?
The InChIKey is DYIUPRGRJBQYPC-UOEMFJLTSA-N. The full InChI is InChI=1S/C24H39NO5/c1-16(6-9-20-15-24(5,28)12-13-29-20)7-10-22-17(2)14-21(19(4)30-22)25-23(27)11-8-18(3)26/h6-9,11,17-22,26,28H,10,12-15H2,1-5H3,(H,25,27)/b9-6+,11-8-,16-7+.
What are the key properties of (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide?
(Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide has a molecular weight of 421.58 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-N-[6-[(2E,4E)-5-(4-hydroxy-4-methyloxan-2-yl)-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide is sourced from PubChem (CID 134550106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).