3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide

C28H37N3O3 — CID 22867371

IUPAC3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide
SMILESCC(C)(N)CC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C28H37N3O3/c1-27(2,29)18-25(32)30-24(20-34-19-21-8-4-3-5-9-21)26(33)31-16-14-28(15-17-31)13-12-22-10-6-7-11-23(22)28/h3-11,24H,12-20,29H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyFBISBOUPWFOHFT-XMMPIXPASA-N
MW463.62 g/mol
LogP3.32
Rot. Bonds8

About 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide

3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide (PubChem CID 22867371) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide
PubChem CID22867371
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide
SMILESCC(C)(N)CC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C28H37N3O3/c1-27(2,29)18-25(32)30-24(20-34-19-21-8-4-3-5-9-21)26(33)31-16-14-28(15-17-31)13-12-22-10-6-7-11-23(22)28/h3-11,24H,12-20,29H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyFBISBOUPWFOHFT-XMMPIXPASA-N
XLogP3.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide (CID 22867371) is 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide is CC(C)(N)CC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide?
The InChIKey is FBISBOUPWFOHFT-XMMPIXPASA-N. The full InChI is InChI=1S/C28H37N3O3/c1-27(2,29)18-25(32)30-24(20-34-19-21-8-4-3-5-9-21)26(33)31-16-14-28(15-17-31)13-12-22-10-6-7-11-23(22)28/h3-11,24H,12-20,29H2,1-2H3,(H,30,32)/t24-/m1/s1.
What are the key properties of 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide?
3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide has a molecular weight of 463.62 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]butanamide is sourced from PubChem (CID 22867371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).