2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C49H46F6N4O6 — CID 158682423

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1OC.NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C25H25F3N2O3.C24H21F3N2O3/c1-32-21-13-12-20(16-22(21)33-2)30(24(31)23(29)18-6-4-3-5-7-18)15-14-17-8-10-19(11-9-17)25(26,27)28;25-24(26,27)18-8-6-16(7-9-18)12-13-29(19-10-11-20-21(14-19)32-15-31-20)23(30)22(28)17-4-2-1-3-5-17/h3-13,16,23H,14-15,29H2,1-2H3;1-11,14,22H,12-13,15,28H2
InChIKeyIFHNANCISBZCFJ-UHFFFAOYSA-N
MW900.92 g/mol
LogP9.71
Rot. Bonds14

About 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 158682423) has the molecular formula C49H46F6N4O6 and a molecular weight of 900.92 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID158682423
Molecular FormulaC49H46F6N4O6
Molecular Weight900.92 g/mol
Exact Mass900.33
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1OC.NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C25H25F3N2O3.C24H21F3N2O3/c1-32-21-13-12-20(16-22(21)33-2)30(24(31)23(29)18-6-4-3-5-7-18)15-14-17-8-10-19(11-9-17)25(26,27)28;25-24(26,27)18-8-6-16(7-9-18)12-13-29(19-10-11-20-21(14-19)32-15-31-20)23(30)22(28)17-4-2-1-3-5-17/h3-13,16,23H,14-15,29H2,1-2H3;1-11,14,22H,12-13,15,28H2
InChIKeyIFHNANCISBZCFJ-UHFFFAOYSA-N
XLogP9.71
TPSA129.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.92
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25181697
2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(5-decoxy-2-sulfanylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 160996046
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
2-amino-N-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183549
3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-N,N-diethyl-2-phenylbut-3-enamide
CID 70298408
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-(methylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68728602
N-(3,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methyl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide;3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-3-oxo-2-phenylpropanoic acid
CID 158942975
N-(3,4-dimethoxyphenyl)-2-phenyl-N'-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 25011804
2-amino-N-(2-methoxy-3-pyridinyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007568
2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158980737
(2S)-N-(3,4-dimethoxyphenyl)-2-methoxy-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;3,4-dimethoxy-N-[2-[4-(10,10,10-trifluorodecyl)phenyl]ethyl]aniline
CID 162143669
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 68935177

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 158682423) is 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1OC.NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is IFHNANCISBZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3.C24H21F3N2O3/c1-32-21-13-12-20(16-22(21)33-2)30(24(31)23(29)18-6-4-3-5-7-18)15-14-17-8-10-19(11-9-17)25(26,27)28;25-24(26,27)18-8-6-16(7-9-18)12-13-29(19-10-11-20-21(14-19)32-15-31-20)23(30)22(28)17-4-2-1-3-5-17/h3-13,16,23H,14-15,29H2,1-2H3;1-11,14,22H,12-13,15,28H2.
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 900.92 g/mol, XLogP of 9.71, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 158682423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).