(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C16H17F3N4O — CID 94665026

IUPAC(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCN(C)C(=O)C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C16H17F3N4O/c1-23(2)14(24)10-12(11-6-4-3-5-7-11)21-15-20-9-8-13(22-15)16(17,18)19/h3-9,12H,10H2,1-2H3,(H,20,21,22)/t12-/m1/s1
InChIKeySRFNKZSOGXXCKC-GFCCVEGCSA-N
MW338.33 g/mol
LogP3.13
Rot. Bonds5

About (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 94665026) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID94665026
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCN(C)C(=O)C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C16H17F3N4O/c1-23(2)14(24)10-12(11-6-4-3-5-7-11)21-15-20-9-8-13(22-15)16(17,18)19/h3-9,12H,10H2,1-2H3,(H,20,21,22)/t12-/m1/s1
InChIKeySRFNKZSOGXXCKC-GFCCVEGCSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 94665026) is (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CN(C)C(=O)C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is SRFNKZSOGXXCKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-23(2)14(24)10-12(11-6-4-3-5-7-11)21-15-20-9-8-13(22-15)16(17,18)19/h3-9,12H,10H2,1-2H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 338.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 94665026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).