N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

C16H25F3N2O2 — CID 146475900

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CCOC2(CCNCC2)C1
InChIInChI=1S/C16H25F3N2O2/c1-2-11-9-13(11)21(14(22)16(17,18)19)12-3-8-23-15(10-12)4-6-20-7-5-15/h11-13,20H,2-10H2,1H3/t11-,12?,13-/m1/s1
InChIKeyABXVMANFFQGMTC-LKOMHFJYSA-N
MW334.38 g/mol
LogP2.48
Rot. Bonds3

About N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 146475900) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
PubChem CID146475900
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CCOC2(CCNCC2)C1
InChIInChI=1S/C16H25F3N2O2/c1-2-11-9-13(11)21(14(22)16(17,18)19)12-3-8-23-15(10-12)4-6-20-7-5-15/h11-13,20H,2-10H2,1H3/t11-,12?,13-/m1/s1
InChIKeyABXVMANFFQGMTC-LKOMHFJYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (CID 146475900) is N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is CC[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CCOC2(CCNCC2)C1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is ABXVMANFFQGMTC-LKOMHFJYSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-2-11-9-13(11)21(14(22)16(17,18)19)12-3-8-23-15(10-12)4-6-20-7-5-15/h11-13,20H,2-10H2,1H3/t11-,12?,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-2,2,2-trifluoro-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 146475900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).