2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide

C28H35N3O3 — CID 23367874

IUPAC2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12
InChIInChI=1S/C28H35N3O3/c1-27(2,29)26(34)30-23(14-8-11-20-9-4-3-5-10-20)25(33)31-17-15-28(16-18-31)19-24(32)21-12-6-7-13-22(21)28/h3-7,9-10,12-13,23H,8,11,14-19,29H2,1-2H3,(H,30,34)
InChIKeyCXXGJFDTPWYQNM-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.38
Rot. Bonds7

About 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide

2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide (PubChem CID 23367874) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide
PubChem CID23367874
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12
InChIInChI=1S/C28H35N3O3/c1-27(2,29)26(34)30-23(14-8-11-20-9-4-3-5-10-20)25(33)31-17-15-28(16-18-31)19-24(32)21-12-6-7-13-22(21)28/h3-7,9-10,12-13,23H,8,11,14-19,29H2,1-2H3,(H,30,34)
InChIKeyCXXGJFDTPWYQNM-UHFFFAOYSA-N
XLogP3.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide (CID 23367874) is 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide is CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12.
What is the InChIKey of 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide?
The InChIKey is CXXGJFDTPWYQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-27(2,29)26(34)30-23(14-8-11-20-9-4-3-5-10-20)25(33)31-17-15-28(16-18-31)19-24(32)21-12-6-7-13-22(21)28/h3-7,9-10,12-13,23H,8,11,14-19,29H2,1-2H3,(H,30,34).
What are the key properties of 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide?
2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide has a molecular weight of 461.61 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 23367874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).