(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide

C23H25F3N2O5 — CID 70393278

IUPAC(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
SMILESCN(C)CC(=O)NC(Cc1ccccc1)(c1ccccc1)C(F)(F)F.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C19H21F3N2O.C4H4O4/c1-24(2)14-17(25)23-18(19(20,21)22,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;5-3(6)1-2-4(7)8/h3-12H,13-14H2,1-2H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyIEBOATAWIZGFMN-BTJKTKAUSA-N
MW466.46 g/mol
LogP3.08
Rot. Bonds8

About (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide

(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide (PubChem CID 70393278) has the molecular formula C23H25F3N2O5 and a molecular weight of 466.46 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
PubChem CID70393278
Molecular FormulaC23H25F3N2O5
Molecular Weight466.46 g/mol
Exact Mass466.17
IUPAC Name(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
SMILESCN(C)CC(=O)NC(Cc1ccccc1)(c1ccccc1)C(F)(F)F.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C19H21F3N2O.C4H4O4/c1-24(2)14-17(25)23-18(19(20,21)22,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;5-3(6)1-2-4(7)8/h3-12H,13-14H2,1-2H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyIEBOATAWIZGFMN-BTJKTKAUSA-N
XLogP3.08
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[1-(dimethylamino)-2-oxo-2-[(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)amino]ethyl] (Z)-but-2-enedioate
CID 88631089
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
CID 3088651
2-pyrrolidin-1-yl-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
CID 21277904
bis[1-amino-2-oxo-2-[(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)amino]ethyl] (Z)-but-2-enedioate
CID 88630700
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
(Z)-2-[1-(butylamino)-2-oxo-2-[(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)amino]ethyl]but-2-enedioic acid
CID 70413949
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712194
(E)-4,4-dimethyl-5-phenylpent-2-enoic acid
CID 22261491
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide?
The IUPAC name of (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide (CID 70393278) is (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide is CN(C)CC(=O)NC(Cc1ccccc1)(c1ccccc1)C(F)(F)F.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide?
The InChIKey is IEBOATAWIZGFMN-BTJKTKAUSA-N. The full InChI is InChI=1S/C19H21F3N2O.C4H4O4/c1-24(2)14-17(25)23-18(19(20,21)22,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;5-3(6)1-2-4(7)8/h3-12H,13-14H2,1-2H3,(H,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide?
(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide has a molecular weight of 466.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide is sourced from PubChem (CID 70393278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).