N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

C23H29F3N2O — CID 122641245

IUPACN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1
InChIInChI=1S/C23H29F3N2O/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3/b17-12+/t19-,20+/m0/s1
InChIKeyLQTMHGRWYUIKOJ-ZUGOVCDKSA-N
MW406.49 g/mol
LogP4.79
Rot. Bonds5

About N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (PubChem CID 122641245) has the molecular formula C23H29F3N2O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
PubChem CID122641245
Molecular FormulaC23H29F3N2O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC NameN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1
InChIInChI=1S/C23H29F3N2O/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3/b17-12+/t19-,20+/m0/s1
InChIKeyLQTMHGRWYUIKOJ-ZUGOVCDKSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (CID 122641245) is N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The InChIKey is LQTMHGRWYUIKOJ-ZUGOVCDKSA-N. The full InChI is InChI=1S/C23H29F3N2O/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3/b17-12+/t19-,20+/m0/s1.
What are the key properties of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is sourced from PubChem (CID 122641245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).