2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C24H40FN3O2 — CID 157289494

IUPAC2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)NCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H]
InChIInChI=1S/C24H36FN3O2.2H2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4;;/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30);2*1H/t21-;;/m1../s1
InChIKeyBAQCXVDDQFTBIT-GHVWMZMZSA-N
MW421.60 g/mol
LogP4.17
Rot. Bonds5

About 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 157289494) has the molecular formula C24H40FN3O2 and a molecular weight of 421.60 g/mol. Its IUPAC name is 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID157289494
Molecular FormulaC24H40FN3O2
Molecular Weight421.60 g/mol
Exact Mass421.31
IUPAC Name2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)NCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H]
InChIInChI=1S/C24H36FN3O2.2H2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4;;/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30);2*1H/t21-;;/m1../s1
InChIKeyBAQCXVDDQFTBIT-GHVWMZMZSA-N
XLogP4.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 157289494) is 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)NCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H].
What is the InChIKey of 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is BAQCXVDDQFTBIT-GHVWMZMZSA-N. The full InChI is InChI=1S/C24H36FN3O2.2H2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4;;/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30);2*1H/t21-;;/m1../s1.
What are the key properties of 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 421.60 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 157289494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).