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

C25H32F3N3O2 — CID 122649874

IUPACN-[7-(2-amino-2-oxoethyl)-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(CCN(CC(N)=O)CC2)C1
InChIInChI=1S/C25H32F3N3O2/c1-2-18(12-17-6-4-3-5-7-17)20-13-21(20)31(23(33)25(26,27)28)19-14-24(15-19)8-10-30(11-9-24)16-22(29)32/h3-7,12,19-21H,2,8-11,13-16H2,1H3,(H2,29,32)/b18-12+/t20-,21+/m0/s1
InChIKeyCCYNNFGYSCLBEH-DQUIPBSDSA-N
MW463.54 g/mol
LogP3.99
Rot. Bonds7

About N-[7-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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 122649874) has the molecular formula C25H32F3N3O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[7-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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 CID122649874
Molecular FormulaC25H32F3N3O2
Molecular Weight463.54 g/mol
Exact Mass463.24
IUPAC NameN-[7-(2-amino-2-oxoethyl)-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(CCN(CC(N)=O)CC2)C1
InChIInChI=1S/C25H32F3N3O2/c1-2-18(12-17-6-4-3-5-7-17)20-13-21(20)31(23(33)25(26,27)28)19-14-24(15-19)8-10-30(11-9-24)16-22(29)32/h3-7,12,19-21H,2,8-11,13-16H2,1H3,(H2,29,32)/b18-12+/t20-,21+/m0/s1
InChIKeyCCYNNFGYSCLBEH-DQUIPBSDSA-N
XLogP3.99
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-(2-amino-2-oxoethyl)-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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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]butanamide
CID 57390699
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 57395973
(2S)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
CID 57401194
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67378515
(6S)-6-(4-aminobutyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 16745900
(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 53299350
Ketone, (alpha-methyl-m-trifluoromethylphenethylaminomethyl) piperidino
CID 52374
(6S)-6-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 53299340
1-[(3-{2-[3-(Trifluoromethyl)phenyl]ethyl}-1-piperidinyl)carbonyl]cyclopropanamine
CID 56867858
2-methyl-N-(2-{methyl[1-(2-phenylethyl)-3-piperidinyl]amino}-2-oxoethyl)propanamide
CID 56916490
Sdccgsbi-0117424.P001
CID 45228216

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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 122649874) is N-[7-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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(CCN(CC(N)=O)CC2)C1.
What is the InChIKey of N-[7-(2-amino-2-oxoethyl)-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 CCYNNFGYSCLBEH-DQUIPBSDSA-N. The full InChI is InChI=1S/C25H32F3N3O2/c1-2-18(12-17-6-4-3-5-7-17)20-13-21(20)31(23(33)25(26,27)28)19-14-24(15-19)8-10-30(11-9-24)16-22(29)32/h3-7,12,19-21H,2,8-11,13-16H2,1H3,(H2,29,32)/b18-12+/t20-,21+/m0/s1.
What are the key properties of N-[7-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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 463.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-amino-2-oxoethyl)-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 122649874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).