N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide

C24H26F6N2O3 — CID 91095185

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1cccc(C(C)(C(=O)NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCOCC2)c1
InChIInChI=1S/C24H26F6N2O3/c1-22(32-8-10-35-11-9-32,17-4-3-5-20(15-17)34-2)21(33)31-7-6-16-12-18(23(25,26)27)14-19(13-16)24(28,29)30/h3-5,12-15H,6-11H2,1-2H3,(H,31,33)
InChIKeyOWFUQVBVBAYBJY-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.64
Rot. Bonds7

About N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide (PubChem CID 91095185) has the molecular formula C24H26F6N2O3 and a molecular weight of 504.47 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide
PubChem CID91095185
Molecular FormulaC24H26F6N2O3
Molecular Weight504.47 g/mol
Exact Mass504.18
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1cccc(C(C)(C(=O)NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCOCC2)c1
InChIInChI=1S/C24H26F6N2O3/c1-22(32-8-10-35-11-9-32,17-4-3-5-20(15-17)34-2)21(33)31-7-6-16-12-18(23(25,26)27)14-19(13-16)24(28,29)30/h3-5,12-15H,6-11H2,1-2H3,(H,31,33)
InChIKeyOWFUQVBVBAYBJY-UHFFFAOYSA-N
XLogP4.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
CID 177204961
1-(3-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]thiourea
CID 3596467
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109445
2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803297
N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276597
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide (CID 91095185) is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide is COc1cccc(C(C)(C(=O)NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCOCC2)c1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is OWFUQVBVBAYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2O3/c1-22(32-8-10-35-11-9-32,17-4-3-5-20(15-17)34-2)21(33)31-7-6-16-12-18(23(25,26)27)14-19(13-16)24(28,29)30/h3-5,12-15H,6-11H2,1-2H3,(H,31,33).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 504.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 91095185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).