2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide

C14H25F3N2O2 — CID 72898573

IUPAC2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C
InChIInChI=1S/C14H25F3N2O2/c1-4-21-9-13(20)18-12-8-19(6-5-14(15,16)17)7-11(12)10(2)3/h10-12H,4-9H2,1-3H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyPZFODJJJQUJRDP-NEPJUHHUSA-N
MW310.36 g/mol
LogP2.05
Rot. Bonds7

About 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide

2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide (PubChem CID 72898573) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
PubChem CID72898573
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C
InChIInChI=1S/C14H25F3N2O2/c1-4-21-9-13(20)18-12-8-19(6-5-14(15,16)17)7-11(12)10(2)3/h10-12H,4-9H2,1-3H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyPZFODJJJQUJRDP-NEPJUHHUSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide (CID 72898573) is 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide is CCOCC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C.
What is the InChIKey of 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PZFODJJJQUJRDP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-21-9-13(20)18-12-8-19(6-5-14(15,16)17)7-11(12)10(2)3/h10-12H,4-9H2,1-3H3,(H,18,20)/t11-,12+/m1/s1.
What are the key properties of 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide?
2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72898573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).