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

C24H35N3O — CID 139481831

IUPAC2,2-dimethyl-3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(C)(C)C(N)=O)C2
InChIInChI=1S/C24H35N3O/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)26-19-12-24(13-19)15-27(16-24)14-23(2,3)22(25)28/h5-10,19-21,26H,4,11-16H2,1-3H3,(H2,25,28)/b18-10+/t20-,21+/m0/s1
InChIKeyUHUOKUJLCBNQJV-SYWXZGPASA-N
MW381.56 g/mol
LogP3.43
Rot. Bonds8

About 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

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 (PubChem CID 139481831) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-dimethyl-3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
PubChem CID139481831
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name2,2-dimethyl-3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(C)(C)C(N)=O)C2
InChIInChI=1S/C24H35N3O/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)26-19-12-24(13-19)15-27(16-24)14-23(2,3)22(25)28/h5-10,19-21,26H,4,11-16H2,1-3H3,(H2,25,28)/b18-10+/t20-,21+/m0/s1
InChIKeyUHUOKUJLCBNQJV-SYWXZGPASA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(C)(C)C(N)=O)C2.
What is the InChIKey of 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?
The InChIKey is UHUOKUJLCBNQJV-SYWXZGPASA-N. The full InChI is InChI=1S/C24H35N3O/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)26-19-12-24(13-19)15-27(16-24)14-23(2,3)22(25)28/h5-10,19-21,26H,4,11-16H2,1-3H3,(H2,25,28)/b18-10+/t20-,21+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 381.56 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139481831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).