2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate

C52H69F3N6O11 — CID 140661987

About 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate

2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate (PubChem CID 140661987) has the molecular formula C52H69F3N6O11 and a molecular weight of 1011.15 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate
• PubChem CID: 140661987
• Molecular Formula: C52H69F3N6O11
• Molecular Weight: 1011.15 g/mol
• Exact Mass: 1010.50
• IUPAC Name: 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate
• SMILES: CCN(CC)c1ccc(NC(=O)c2cccc(COCCOCCOCCOCCOCCOCCN(C)C(=O)OCCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
• InChI: InChI=1S/C52H69F3N6O11/c1-4-61(5-2)45-12-13-47(46(37-45)48-36-43(14-15-56-48)49(62)57-38-40-8-7-11-44(35-40)52(53,54)55)58-50(63)42-10-6-9-41(34-42)39-71-33-32-70-31-30-69-29-28-68-27-26-67-25-24-66-20-16-59(3)51(64)72-23-19-60-17-21-65-22-18-60/h6-15,34-37H,4-5,16-33,38-39H2,1-3H3,(H,57,62)(H,58,63)
• InChIKey: YNKBUZDDMZKREJ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 171.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.15
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate?

The IUPAC name of 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate (CID 140661987) is 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate.

What is the SMILES notation for 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate?

The canonical SMILES for 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate is CCN(CC)c1ccc(NC(=O)c2cccc(COCCOCCOCCOCCOCCOCCN(C)C(=O)OCCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.

What is the InChIKey of 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate?

The InChIKey is YNKBUZDDMZKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H69F3N6O11/c1-4-61(5-2)45-12-13-47(46(37-45)48-36-43(14-15-56-48)49(62)57-38-40-8-7-11-44(35-40)52(53,54)55)58-50(63)42-10-6-9-41(34-42)39-71-33-32-70-31-30-69-29-28-68-27-26-67-25-24-66-20-16-59(3)51(64)72-23-19-60-17-21-65-22-18-60/h6-15,34-37H,4-5,16-33,38-39H2,1-3H3,(H,57,62)(H,58,63).

What are the key properties of 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate?

2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate has a molecular weight of 1011.15 g/mol, XLogP of 6.80, 32 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-ylethyl N-[2-[2-[2-[2-[2-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 140661987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).