N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane

C30H47N3O4 — CID 144643792

About N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane

N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane (PubChem CID 144643792) has the molecular formula C30H47N3O4 and a molecular weight of 513.72 g/mol. Its IUPAC name is N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane.

Molecular Properties

• Compound Name: N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane
• PubChem CID: 144643792
• Molecular Formula: C30H47N3O4
• Molecular Weight: 513.72 g/mol
• Exact Mass: 513.36
• IUPAC Name: N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane
• SMILES: C=C/C=C(\C=C)CCCN1CCC(CC(=O)NC(N)=O)(c2cc(O)ccc2C)C(O)(CCC)C1C.CC
• InChI: InChI=1S/C28H41N3O4.C2H6/c1-6-10-22(8-3)11-9-16-31-17-15-27(19-25(33)30-26(29)34,28(35,14-7-2)21(31)5)24-18-23(32)13-12-20(24)4;1-2/h6,8,10,12-13,18,21,32,35H,1,3,7,9,11,14-17,19H2,2,4-5H3,(H3,29,30,33,34);1-2H3/b22-10+
• InChIKey: WIIFGWNXBWRXLQ-UAONINCZSA-N
• XLogP: 5.25
• TPSA: 115.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.72
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane?

The IUPAC name of N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane (CID 144643792) is N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane.

What is the SMILES notation for N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane?

The canonical SMILES for N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane is C=C/C=C(\C=C)CCCN1CCC(CC(=O)NC(N)=O)(c2cc(O)ccc2C)C(O)(CCC)C1C.CC.

What is the InChIKey of N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane?

The InChIKey is WIIFGWNXBWRXLQ-UAONINCZSA-N. The full InChI is InChI=1S/C28H41N3O4.C2H6/c1-6-10-22(8-3)11-9-16-31-17-15-27(19-25(33)30-26(29)34,28(35,14-7-2)21(31)5)24-18-23(32)13-12-20(24)4;1-2/h6,8,10,12-13,18,21,32,35H,1,3,7,9,11,14-17,19H2,2,4-5H3,(H3,29,30,33,34);1-2H3/b22-10+;.

What are the key properties of N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane?

N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane has a molecular weight of 513.72 g/mol, XLogP of 5.25, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 144643792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).