(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide

C15H19F3N2O2 — CID 102062038

IUPAC(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCN(C)C(=O)CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-20(2)13(21)9-8-12(19-14(22)15(16,17)18)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeySMMRMDQFNKLWJR-GFCCVEGCSA-N
MW316.32 g/mol
LogP2.14
Rot. Bonds6

About (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide

(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide (PubChem CID 102062038) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide.

Molecular Properties

Compound Name(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
PubChem CID102062038
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCN(C)C(=O)CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-20(2)13(21)9-8-12(19-14(22)15(16,17)18)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeySMMRMDQFNKLWJR-GFCCVEGCSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4S)-5-(4-methoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 25138757
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide
CID 87583063
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
2,2,2-trifluoro-N-[(2S)-1-phenyl-3-pyridin-3-yloxypropan-2-yl]acetamide
CID 71696736
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The IUPAC name of (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide (CID 102062038) is (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide.
What is the SMILES notation for (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The canonical SMILES for (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide is CN(C)C(=O)CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The InChIKey is SMMRMDQFNKLWJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-20(2)13(21)9-8-12(19-14(22)15(16,17)18)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide?
(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide has a molecular weight of 316.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide is sourced from PubChem (CID 102062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).