formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene

C62H92N8O8 — CID 143584524

About formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene

formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene (PubChem CID 143584524) has the molecular formula C62H92N8O8 and a molecular weight of 1077.47 g/mol. Its IUPAC name is formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 143584524
• Molecular Formula: C62H92N8O8
• Molecular Weight: 1077.47 g/mol
• Exact Mass: 1076.70
• IUPAC Name: formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene
• SMILES: C=O.CN.CN1CCCC1.CNC(C)C(=O)NC(Cc1ccc(OC/C=C/COc2ccc(C)cc2)cc1)C(=O)N1CCCC1C=O.CNC1CCCc2ccccc21.CNCC(=O)NCC=O.c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C29H37N3O5.C11H15N.C10H12.C5H10N2O2.C5H11N.CH5N.CH2O/c1-21-8-12-25(13-9-21)36-17-4-5-18-37-26-14-10-23(11-15-26)19-27(31-28(34)22(2)30-3)29(35)32-16-6-7-24(32)20-33;1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-5(9)7-2-3-8;1-6-4-2-3-5-6;2*1-2/h4-5,8-15,20,22,24,27,30H,6-7,16-19H2,1-3H3,(H,31,34);2-3,5,7,11-12H,4,6,8H2,1H3;1-2,5-6H,3-4,7-8H2;3,6H,2,4H2,1H3,(H,7,9);2-5H2,1H3;2H2,1H3;1H2/b5-4+
• InChIKey: FWNJFOUXDKCYGA-XDVHOFEZSA-N
• XLogP: 6.31
• TPSA: 213.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1077.47
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene (CID 143584524) is formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene is C=O.CN.CN1CCCC1.CNC(C)C(=O)NC(Cc1ccc(OC/C=C/COc2ccc(C)cc2)cc1)C(=O)N1CCCC1C=O.CNC1CCCc2ccccc21.CNCC(=O)NCC=O.c1ccc2c(c1)CCCC2.

What is the InChIKey of formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene?

The InChIKey is FWNJFOUXDKCYGA-XDVHOFEZSA-N. The full InChI is InChI=1S/C29H37N3O5.C11H15N.C10H12.C5H10N2O2.C5H11N.CH5N.CH2O/c1-21-8-12-25(13-9-21)36-17-4-5-18-37-26-14-10-23(11-15-26)19-27(31-28(34)22(2)30-3)29(35)32-16-6-7-24(32)20-33;1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-5(9)7-2-3-8;1-6-4-2-3-5-6;2*1-2/h4-5,8-15,20,22,24,27,30H,6-7,16-19H2,1-3H3,(H,31,34);2-3,5,7,11-12H,4,6,8H2,1H3;1-2,5-6H,3-4,7-8H2;3,6H,2,4H2,1H3,(H,7,9);2-5H2,1H3;2H2,1H3;1H2/b5-4+;;;;;;.

What are the key properties of formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene?

formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1077.47 g/mol, XLogP of 6.31, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;N-[1-(2-formylpyrrolidin-1-yl)-3-[4-[(E)-4-(4-methylphenoxy)but-2-enoxy]phenyl]-1-oxopropan-2-yl]-2-(methylamino)propanamide;methanamine;2-(methylamino)-N-(2-oxoethyl)acetamide;1-methylpyrrolidine;N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143584524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).