N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

C34H32F3N5O5 — CID 11802342

IUPACN-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESCN(C(=O)COc1ccccc1N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C34H32F3N5O5/c1-40(26-14-5-3-6-15-26)31(44)22-42(30(43)21-38-33(46)39-25-13-11-12-24(20-25)34(35,36)37)28-18-9-10-19-29(28)47-23-32(45)41(2)27-16-7-4-8-17-27/h3-20H,21-23H2,1-2H3,(H2,38,39,46)
InChIKeyKXTZGEPBBFBZPQ-UHFFFAOYSA-N
MW647.65 g/mol
LogP5.56
Rot. Bonds11

About N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (PubChem CID 11802342) has the molecular formula C34H32F3N5O5 and a molecular weight of 647.65 g/mol. Its IUPAC name is N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
PubChem CID11802342
Molecular FormulaC34H32F3N5O5
Molecular Weight647.65 g/mol
Exact Mass647.24
IUPAC NameN-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESCN(C(=O)COc1ccccc1N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C34H32F3N5O5/c1-40(26-14-5-3-6-15-26)31(44)22-42(30(43)21-38-33(46)39-25-13-11-12-24(20-25)34(35,36)37)28-18-9-10-19-29(28)47-23-32(45)41(2)27-16-7-4-8-17-27/h3-20H,21-23H2,1-2H3,(H2,38,39,46)
InChIKeyKXTZGEPBBFBZPQ-UHFFFAOYSA-N
XLogP5.56
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.65
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (CID 11802342) is N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is CN(C(=O)COc1ccccc1N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is KXTZGEPBBFBZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O5/c1-40(26-14-5-3-6-15-26)31(44)22-42(30(43)21-38-33(46)39-25-13-11-12-24(20-25)34(35,36)37)28-18-9-10-19-29(28)47-23-32(45)41(2)27-16-7-4-8-17-27/h3-20H,21-23H2,1-2H3,(H2,38,39,46).
What are the key properties of N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 647.65 g/mol, XLogP of 5.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 11802342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).