N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen

C25H40N2O2 — CID 162068259

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCCO3)c3ccccc32)CC1.[H][H]
InChIInChI=1S/C25H38N2O2.H2/c1-24(2,3)12-15-27-16-13-25(14-17-27)11-10-21(19-7-4-5-8-20(19)25)26-23(28)22-9-6-18-29-22;/h4-5,7-8,21-22H,6,9-18H2,1-3H3,(H,26,28);1H/t21-,22?;/m0./s1
InChIKeyZASUKHBKCPBTAB-GYFCLUQUSA-N
MW400.61 g/mol
LogP4.83
Rot. Bonds4

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen (PubChem CID 162068259) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
PubChem CID162068259
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCCO3)c3ccccc32)CC1.[H][H]
InChIInChI=1S/C25H38N2O2.H2/c1-24(2,3)12-15-27-16-13-25(14-17-27)11-10-21(19-7-4-5-8-20(19)25)26-23(28)22-9-6-18-29-22;/h4-5,7-8,21-22H,6,9-18H2,1-3H3,(H,26,28);1H/t21-,22?;/m0./s1
InChIKeyZASUKHBKCPBTAB-GYFCLUQUSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen (CID 162068259) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCCO3)c3ccccc32)CC1.[H][H].
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?
The InChIKey is ZASUKHBKCPBTAB-GYFCLUQUSA-N. The full InChI is InChI=1S/C25H38N2O2.H2/c1-24(2,3)12-15-27-16-13-25(14-17-27)11-10-21(19-7-4-5-8-20(19)25)26-23(28)22-9-6-18-29-22;/h4-5,7-8,21-22H,6,9-18H2,1-3H3,(H,26,28);1H/t21-,22?;/m0./s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen has a molecular weight of 400.61 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).