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

C52H69F3N6O11 — CID 118126801

IUPAC2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2COCCOCCOCCOCCOCCOCCOC(=O)N(C)CCN2CCOCC2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C52H69F3N6O11/c1-4-61(5-2)44-13-14-47(46(37-44)48-36-41(15-16-56-48)49(62)57-38-40-9-8-11-43(35-40)52(53,54)55)58-50(63)45-12-7-6-10-42(45)39-71-32-31-69-28-27-67-24-23-66-25-26-68-29-30-70-33-34-72-51(64)59(3)17-18-60-19-21-65-22-20-60/h6-16,35-37H,4-5,17-34,38-39H2,1-3H3,(H,57,62)(H,58,63)
InChIKeySTNWMUYXKADWNY-UHFFFAOYSA-N
MW1011.15 g/mol
LogP6.80
Rot. Bonds32

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

2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 118126801) has the molecular formula C52H69F3N6O11 and a molecular weight of 1011.15 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate
PubChem CID118126801
Molecular FormulaC52H69F3N6O11
Molecular Weight1011.15 g/mol
Exact Mass1010.50
IUPAC Name2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2COCCOCCOCCOCCOCCOCCOC(=O)N(C)CCN2CCOCC2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C52H69F3N6O11/c1-4-61(5-2)44-13-14-47(46(37-44)48-36-41(15-16-56-48)49(62)57-38-40-9-8-11-43(35-40)52(53,54)55)58-50(63)45-12-7-6-10-42(45)39-71-32-31-69-28-27-67-24-23-66-25-26-68-29-30-70-33-34-72-51(64)59(3)17-18-60-19-21-65-22-20-60/h6-16,35-37H,4-5,17-34,38-39H2,1-3H3,(H,57,62)(H,58,63)
InChIKeySTNWMUYXKADWNY-UHFFFAOYSA-N
XLogP6.80
TPSA171.72 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.15
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate (CID 118126801) is 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate is CCN(CC)c1ccc(NC(=O)c2ccccc2COCCOCCOCCOCCOCCOCCOC(=O)N(C)CCN2CCOCC2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is STNWMUYXKADWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H69F3N6O11/c1-4-61(5-2)44-13-14-47(46(37-44)48-36-41(15-16-56-48)49(62)57-38-40-9-8-11-43(35-40)52(53,54)55)58-50(63)45-12-7-6-10-42(45)39-71-32-31-69-28-27-67-24-23-66-25-26-68-29-30-70-33-34-72-51(64)59(3)17-18-60-19-21-65-22-20-60/h6-16,35-37H,4-5,17-34,38-39H2,1-3H3,(H,57,62)(H,58,63).
What are the key properties of 2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate?
2-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate 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-[2-[2-[2-[2-[2-[[2-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 118126801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).