N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide

C15H26F3N3O2 — CID 15288965

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)N(CCNC(=O)CN1C(=O)CCC1C(F)(F)F)C(C)C
InChIInChI=1S/C15H26F3N3O2/c1-10(2)20(11(3)4)8-7-19-13(22)9-21-12(15(16,17)18)5-6-14(21)23/h10-12H,5-9H2,1-4H3,(H,19,22)
InChIKeyKTCGKKXOEADAFD-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide (PubChem CID 15288965) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide
PubChem CID15288965
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)N(CCNC(=O)CN1C(=O)CCC1C(F)(F)F)C(C)C
InChIInChI=1S/C15H26F3N3O2/c1-10(2)20(11(3)4)8-7-19-13(22)9-21-12(15(16,17)18)5-6-14(21)23/h10-12H,5-9H2,1-4H3,(H,19,22)
InChIKeyKTCGKKXOEADAFD-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-aminobutyryl-L-proline n-pentylamide
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(2S)-aminobutyryl-L-proline n-propylamide
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(2S)-aminobutyryl-L-prolinamide
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(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
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L-norleucyl-L-prolinamide
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L-norvalyl-L-prolinamide
CID 11687141
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(propan-2-yl)ethanediamide
CID 3156743
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide (CID 15288965) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide is CC(C)N(CCNC(=O)CN1C(=O)CCC1C(F)(F)F)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KTCGKKXOEADAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-10(2)20(11(3)4)8-7-19-13(22)9-21-12(15(16,17)18)5-6-14(21)23/h10-12H,5-9H2,1-4H3,(H,19,22).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 15288965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).