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

C23H33N3O2 — CID 139481915

IUPACN-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2
InChIInChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m1/s1
InChIKeyYWDXCIZHUBDWDH-KYYLQIHLSA-N
MW383.54 g/mol
LogP2.03
Rot. Bonds9

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

N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide (PubChem CID 139481915) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
PubChem CID139481915
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2
InChIInChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m1/s1
InChIKeyYWDXCIZHUBDWDH-KYYLQIHLSA-N
XLogP2.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide (CID 139481915) is N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide is CC/C(=C\c1ccccc1)[C@H]1C[C@@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2.
What is the InChIKey of N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide?
The InChIKey is YWDXCIZHUBDWDH-KYYLQIHLSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide?
N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide is sourced from PubChem (CID 139481915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).