N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane

C40H75N5O7 — CID 170585938

About N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane

N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane (PubChem CID 170585938) has the molecular formula C40H75N5O7 and a molecular weight of 738.07 g/mol. Its IUPAC name is N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane.

Molecular Properties

• Compound Name: N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
• PubChem CID: 170585938
• Molecular Formula: C40H75N5O7
• Molecular Weight: 738.07 g/mol
• Exact Mass: 737.57
• IUPAC Name: N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
• SMILES: C=C/C=C(\C=C)C(O)C(C)NC=O.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC(=O)C(NC)C(C)C
• InChI: InChI=1S/C27H52N4O5.C10H15NO2.C3H8/c1-11-19(6)25(30(8)23(33)16-29-27(34)24(28-7)17(2)3)21(35-9)15-22(32)31-14-12-13-20(31)26(36-10)18(4)5;1-4-6-9(5-2)10(13)8(3)11-7-12;1-3-2/h17-21,24-26,28H,11-16H2,1-10H3,(H,29,34);4-8,10,13H,1-2H2,3H3,(H,11,12);3H2,1-2H3/b;9-6+
• InChIKey: BUOSWIRFTBHLCL-YJXWIHHLSA-N
• XLogP: 4.48
• TPSA: 149.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.07
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane?

The IUPAC name of N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane (CID 170585938) is N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane.

What is the SMILES notation for N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane?

The canonical SMILES for N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane is C=C/C=C(\C=C)C(O)C(C)NC=O.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC(=O)C(NC)C(C)C.

What is the InChIKey of N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane?

The InChIKey is BUOSWIRFTBHLCL-YJXWIHHLSA-N. The full InChI is InChI=1S/C27H52N4O5.C10H15NO2.C3H8/c1-11-19(6)25(30(8)23(33)16-29-27(34)24(28-7)17(2)3)21(35-9)15-22(32)31-14-12-13-20(31)26(36-10)18(4)5;1-4-6-9(5-2)10(13)8(3)11-7-12;1-3-2/h17-21,24-26,28H,11-16H2,1-10H3,(H,29,34);4-8,10,13H,1-2H2,3H3,(H,11,12);3H2,1-2H3/b;9-6+;.

What are the key properties of N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane?

N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane has a molecular weight of 738.07 g/mol, XLogP of 4.48, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane is sourced from PubChem (CID 170585938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).