(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

C29H47N3O6 — CID 134550083

About (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

(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 (PubChem CID 134550083) has the molecular formula C29H47N3O6 and a molecular weight of 533.71 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 134550083
• Molecular Formula: C29H47N3O6
• Molecular Weight: 533.71 g/mol
• Exact Mass: 533.35
• IUPAC Name: (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
• SMILES: CC(/C=C/C1O[C@H](CC(=O)NN(C)C)CC2(CO2)[C@@H]1O)=C\CC1OC(C)C(NC(=O)/C=C\C(C)C)CC1C
• InChI: InChI=1S/C29H47N3O6/c1-18(2)8-13-26(33)30-23-14-20(4)24(37-21(23)5)11-9-19(3)10-12-25-28(35)29(17-36-29)16-22(38-25)15-27(34)31-32(6)7/h8-10,12-13,18,20-25,28,35H,11,14-17H2,1-7H3,(H,30,33)(H,31,34)/b12-10+,13-8-,19-9+/t20?,21?,22-,23?,24?,25?,28-,29?/m1/s1
• InChIKey: OUROFDZWKSWODJ-GJWJDJQQSA-N
• XLogP: 2.66
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.71
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(/C=C/C1O[C@H](CC(=O)NN(C)C)CC2(CO2)[C@@H]1O)=C\CC1OC(C)C(NC(=O)/C=C\C(C)C)CC1C.

What is the InChIKey of (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?

The InChIKey is OUROFDZWKSWODJ-GJWJDJQQSA-N. The full InChI is InChI=1S/C29H47N3O6/c1-18(2)8-13-26(33)30-23-14-20(4)24(37-21(23)5)11-9-19(3)10-12-25-28(35)29(17-36-29)16-22(38-25)15-27(34)31-32(6)7/h8-10,12-13,18,20-25,28,35H,11,14-17H2,1-7H3,(H,30,33)(H,31,34)/b12-10+,13-8-,19-9+/t20?,21?,22-,23?,24?,25?,28-,29?/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 533.71 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 134550083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).