2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C33H41F3N2O2 — CID 158980737

IUPAC2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCCCCCCCCCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C33H41F3N2O2/c1-2-3-4-5-6-7-8-12-25-40-30-21-19-29(20-22-30)38(32(39)31(37)27-13-10-9-11-14-27)24-23-26-15-17-28(18-16-26)33(34,35)36/h9-11,13-22,31H,2-8,12,23-25,37H2,1H3
InChIKeyQPOKDRRCYNYVLM-UHFFFAOYSA-N
MW554.70 g/mol
LogP8.50
Rot. Bonds16

About 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 158980737) has the molecular formula C33H41F3N2O2 and a molecular weight of 554.70 g/mol. Its IUPAC name is 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID158980737
Molecular FormulaC33H41F3N2O2
Molecular Weight554.70 g/mol
Exact Mass554.31
IUPAC Name2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCCCCCCCCCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C33H41F3N2O2/c1-2-3-4-5-6-7-8-12-25-40-30-21-19-29(20-22-30)38(32(39)31(37)27-13-10-9-11-14-27)24-23-26-15-17-28(18-16-26)33(34,35)36/h9-11,13-22,31H,2-8,12,23-25,37H2,1H3
InChIKeyQPOKDRRCYNYVLM-UHFFFAOYSA-N
XLogP8.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.70
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(2-methoxy-3-pyridinyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007568
2-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 173155722
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
2-amino-2-(2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007603
2-amino-N-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183549
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide
CID 143753245
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
(1S,2R)-2-amino-4-(4-heptoxyphenyl)-2-methyl-1-phenylbutan-1-ol
CID 11581481
N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 91194227

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 158980737) is 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is CCCCCCCCCCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is QPOKDRRCYNYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N2O2/c1-2-3-4-5-6-7-8-12-25-40-30-21-19-29(20-22-30)38(32(39)31(37)27-13-10-9-11-14-27)24-23-26-15-17-28(18-16-26)33(34,35)36/h9-11,13-22,31H,2-8,12,23-25,37H2,1H3.
What are the key properties of 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 554.70 g/mol, XLogP of 8.50, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 158980737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).