N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

C25H32F3N3O2 — CID 139465141

IUPACN-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCCNC(=O)CN1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3/C(=C/c3ccccc3)CC)C2)C1
InChIInChI=1S/C25H32F3N3O2/c1-3-18(10-17-8-6-5-7-9-17)20-11-21(20)31(23(33)25(26,27)28)19-12-24(13-19)15-30(16-24)14-22(32)29-4-2/h5-10,19-21H,3-4,11-16H2,1-2H3,(H,29,32)/b18-10+/t20-,21+/m0/s1
InChIKeyIHKNMIMHXBWFTO-SYWXZGPASA-N
MW463.54 g/mol
LogP3.86
Rot. Bonds8

About N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (PubChem CID 139465141) has the molecular formula C25H32F3N3O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
PubChem CID139465141
Molecular FormulaC25H32F3N3O2
Molecular Weight463.54 g/mol
Exact Mass463.24
IUPAC NameN-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCCNC(=O)CN1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3/C(=C/c3ccccc3)CC)C2)C1
InChIInChI=1S/C25H32F3N3O2/c1-3-18(10-17-8-6-5-7-9-17)20-11-21(20)31(23(33)25(26,27)28)19-12-24(13-19)15-30(16-24)14-22(32)29-4-2/h5-10,19-21H,3-4,11-16H2,1-2H3,(H,29,32)/b18-10+/t20-,21+/m0/s1
InChIKeyIHKNMIMHXBWFTO-SYWXZGPASA-N
XLogP3.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-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

2-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 122649863
1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 156017190
2,2-dimethyl-3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
CID 139481831
3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
CID 153429583
N-(2-hydroxyethyl)-2-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
CID 154732824
N-(cyclopropylmethyl)-2-methyl-1-[(E)-4-phenylbut-3-enoyl]azetidine-2-carboxamide
CID 46943591
2-[[2-[1-(2,6-Difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209
2-[[2-[2-(2,6-Difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815212
N-[(1R,3S)-2,2-dimethyl-3-(3-phenylpropyl)cyclopropyl]-2,2,2-trifluoroacetamide
CID 178339044
N-[(1R,3R)-2,2-dimethyl-3-(3-phenylpropyl)cyclopropyl]-2,2,2-trifluoroacetamide
CID 178339045
2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide
CID 99816094
2-methyl-1-[(E)-4-phenylbut-3-enoyl]-N-(2,2,2-trifluoroethyl)azetidine-2-carboxamide
CID 132457796

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The IUPAC name of N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (CID 139465141) is N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-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-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The canonical SMILES for N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is CCNC(=O)CN1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3/C(=C/c3ccccc3)CC)C2)C1.
What is the InChIKey of N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The InChIKey is IHKNMIMHXBWFTO-SYWXZGPASA-N. The full InChI is InChI=1S/C25H32F3N3O2/c1-3-18(10-17-8-6-5-7-9-17)20-11-21(20)31(23(33)25(26,27)28)19-12-24(13-19)15-30(16-24)14-22(32)29-4-2/h5-10,19-21H,3-4,11-16H2,1-2H3,(H,29,32)/b18-10+/t20-,21+/m0/s1.
What are the key properties of N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-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 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is sourced from PubChem (CID 139465141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).