(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide

C23H39NO2 — CID 144618423

IUPAC(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
SMILESCCC(C)/C=C/C(C)=C/CC1OC(C)C(NC(=O)/C=C\C(C)C)CC1C
InChIInChI=1S/C23H39NO2/c1-8-17(4)10-11-18(5)12-13-22-19(6)15-21(20(7)26-22)24-23(25)14-9-16(2)3/h9-12,14,16-17,19-22H,8,13,15H2,1-7H3,(H,24,25)/b11-10+,14-9-,18-12+
InChIKeyIYPLLBMHZVSKTA-QMMPYLMYSA-N
MW361.57 g/mol
LogP5.44
Rot. Bonds8

About (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide

(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide (PubChem CID 144618423) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
PubChem CID144618423
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
SMILESCCC(C)/C=C/C(C)=C/CC1OC(C)C(NC(=O)/C=C\C(C)C)CC1C
InChIInChI=1S/C23H39NO2/c1-8-17(4)10-11-18(5)12-13-22-19(6)15-21(20(7)26-22)24-23(25)14-9-16(2)3/h9-12,14,16-17,19-22H,8,13,15H2,1-7H3,(H,24,25)/b11-10+,14-9-,18-12+
InChIKeyIYPLLBMHZVSKTA-QMMPYLMYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(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)-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)-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
[(E,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
CID 87266765
methyl 2-[(5S,7R,8S)-7-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-8-hydroxy-6-oxaspiro[2.5]octan-5-yl]acetate
CID 160923147
(Z)-N-[6-[(2E,4E)-5-[(4R,7S)-7-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
CID 134550083
(Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
CID 157496814
[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
CID 138977447
[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(E)-3-methyl-4-oxobut-2-enyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;methane
CID 159718434
(E)-4-amino-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3S,5S,7S)-7-(2-amino-2-oxoethyl)-2-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide
CID 126481029
(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
(Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[(3-aminopropanoylamino)methyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
CID 90141330

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?
The IUPAC name of (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide (CID 144618423) is (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide is CCC(C)/C=C/C(C)=C/CC1OC(C)C(NC(=O)/C=C\C(C)C)CC1C.
What is the InChIKey of (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?
The InChIKey is IYPLLBMHZVSKTA-QMMPYLMYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-8-17(4)10-11-18(5)12-13-22-19(6)15-21(20(7)26-22)24-23(25)14-9-16(2)3/h9-12,14,16-17,19-22H,8,13,15H2,1-7H3,(H,24,25)/b11-10+,14-9-,18-12+.
What are the key properties of (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?
(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide has a molecular weight of 361.57 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 144618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).