N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C47H68F3N11O9 — CID 178126263

About N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one

N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 178126263) has the molecular formula C47H68F3N11O9 and a molecular weight of 988.12 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one
• PubChem CID: 178126263
• Molecular Formula: C47H68F3N11O9
• Molecular Weight: 988.12 g/mol
• Exact Mass: 987.52
• IUPAC Name: N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one
• SMILES: CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)CC1.CN1C(=O)CCC1c1cccnc1.NC(=O)COCCOCCNC(=O)COCCNC(=O)CCNC=O
• InChI: InChI=1S/C23H30F3N5O.C14H26N4O7.C10H12N2O/c1-14(2)30(3)16-5-7-17(8-6-16)31-11-10-20(22(31)32)29-21-18-12-15(23(24,25)26)4-9-19(18)27-13-28-21;15-12(20)9-25-8-7-23-5-3-18-14(22)10-24-6-4-17-13(21)1-2-16-11-19;1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h4,9,12-14,16-17,20H,5-8,10-11H2,1-3H3,(H,27,28,29);11H,1-10H2,(H2,15,20)(H,16,19)(H,17,21)(H,18,22);2-3,6-7,9H,4-5H2,1H3
• InChIKey: LWNJJLBQJOHKTF-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 252.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.12
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one?

The IUPAC name of N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 178126263) is N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

What is the SMILES notation for N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one?

The canonical SMILES for N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)CC1.CN1C(=O)CCC1c1cccnc1.NC(=O)COCCOCCNC(=O)COCCNC(=O)CCNC=O.

What is the InChIKey of N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one?

The InChIKey is LWNJJLBQJOHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O.C14H26N4O7.C10H12N2O/c1-14(2)30(3)16-5-7-17(8-6-16)31-11-10-20(22(31)32)29-21-18-12-15(23(24,25)26)4-9-19(18)27-13-28-21;15-12(20)9-25-8-7-23-5-3-18-14(22)10-24-6-4-17-13(21)1-2-16-11-19;1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h4,9,12-14,16-17,20H,5-8,10-11H2,1-3H3,(H,27,28,29);11H,1-10H2,(H2,15,20)(H,16,19)(H,17,21)(H,18,22);2-3,6-7,9H,4-5H2,1H3.

What are the key properties of N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one?

N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 988.12 g/mol, XLogP of 2.58, 23 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethyl]-3-formamidopropanamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 178126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).