2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide

C25H37N3O2 — CID 130206548

IUPAC2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide
SMILESCC[C@H](C)[C@H](NC(=O)C(N)C(C)(C)C)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C25H37N3O2/c1-6-17(2)20(27-22(29)21(26)24(3,4)5)23(30)28-15-13-25(14-16-28)12-11-18-9-7-8-10-19(18)25/h7-12,17,20-21H,6,13-16,26H2,1-5H3,(H,27,29)/t17-,20-,21?/m0/s1
InChIKeySXZQXEUGVVHXTG-LTGDSAQFSA-N
MW411.59 g/mol
LogP3.48
Rot. Bonds5

About 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide

2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide (PubChem CID 130206548) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide
PubChem CID130206548
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide
SMILESCC[C@H](C)[C@H](NC(=O)C(N)C(C)(C)C)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C25H37N3O2/c1-6-17(2)20(27-22(29)21(26)24(3,4)5)23(30)28-15-13-25(14-16-28)12-11-18-9-7-8-10-19(18)25/h7-12,17,20-21H,6,13-16,26H2,1-5H3,(H,27,29)/t17-,20-,21?/m0/s1
InChIKeySXZQXEUGVVHXTG-LTGDSAQFSA-N
XLogP3.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide (CID 130206548) is 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide is CC[C@H](C)[C@H](NC(=O)C(N)C(C)(C)C)C(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide?
The InChIKey is SXZQXEUGVVHXTG-LTGDSAQFSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-6-17(2)20(27-22(29)21(26)24(3,4)5)23(30)28-15-13-25(14-16-28)12-11-18-9-7-8-10-19(18)25/h7-12,17,20-21H,6,13-16,26H2,1-5H3,(H,27,29)/t17-,20-,21?/m0/s1.
What are the key properties of 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide?
2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide has a molecular weight of 411.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide is sourced from PubChem (CID 130206548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).