(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

C19H23F3N4O — CID 97186982

IUPAC(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cccc([C@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1
InChIInChI=1S/C19H23F3N4O/c1-12-6-5-7-14(10-12)17(26(3)4)18(27)23-9-8-16-24-13(2)11-15(25-16)19(20,21)22/h5-7,10-11,17H,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeyAZMORCJBAIFREC-QGZVFWFLSA-N
MW380.41 g/mol
LogP3.07
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 97186982) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID97186982
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cccc([C@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1
InChIInChI=1S/C19H23F3N4O/c1-12-6-5-7-14(10-12)17(26(3)4)18(27)23-9-8-16-24-13(2)11-15(25-16)19(20,21)22/h5-7,10-11,17H,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeyAZMORCJBAIFREC-QGZVFWFLSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea
CID 71797025
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
3-(furan-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]prop-2-enamide
CID 71960531
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 97186982) is (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is Cc1cccc([C@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is AZMORCJBAIFREC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12-6-5-7-14(10-12)17(26(3)4)18(27)23-9-8-16-24-13(2)11-15(25-16)19(20,21)22/h5-7,10-11,17H,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 97186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).