2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride

C26H34ClN3O4 — CID 45264019

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12.Cl
InChIInChI=1S/C26H33N3O4.ClH/c1-25(2,27)24(31)28-21(17-32-16-19-8-4-3-5-9-19)23(30)29-14-12-26(13-15-29)18-33-22-11-7-6-10-20(22)26;/h3-11,21H,12-18,27H2,1-2H3,(H,28,31);1H/t21-;/m1./s1
InChIKeyKICOYPJMIGLSPX-ZMBIFBSDSA-N
MW488.03 g/mol
LogP2.80
Rot. Bonds7

About 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride (PubChem CID 45264019) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
PubChem CID45264019
Molecular FormulaC26H34ClN3O4
Molecular Weight488.03 g/mol
Exact Mass487.22
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12.Cl
InChIInChI=1S/C26H33N3O4.ClH/c1-25(2,27)24(31)28-21(17-32-16-19-8-4-3-5-9-19)23(30)29-14-12-26(13-15-29)18-33-22-11-7-6-10-20(22)26;/h3-11,21H,12-18,27H2,1-2H3,(H,28,31);1H/t21-;/m1./s1
InChIKeyKICOYPJMIGLSPX-ZMBIFBSDSA-N
XLogP2.80
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride (CID 45264019) is 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride?
The InChIKey is KICOYPJMIGLSPX-ZMBIFBSDSA-N. The full InChI is InChI=1S/C26H33N3O4.ClH/c1-25(2,27)24(31)28-21(17-32-16-19-8-4-3-5-9-19)23(30)29-14-12-26(13-15-29)18-33-22-11-7-6-10-20(22)26;/h3-11,21H,12-18,27H2,1-2H3,(H,28,31);1H/t21-;/m1./s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride has a molecular weight of 488.03 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 45264019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).