N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride

C26H35ClN2O2 — CID 45260444

IUPACN-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl
InChIInChI=1S/C26H34N2O2.ClH/c1-27(25(29)18-21-10-6-9-20-8-2-3-11-22(20)21)23-12-14-26(13-7-17-30-26)19-24(23)28-15-4-5-16-28;/h2-3,6,8-11,23-24H,4-5,7,12-19H2,1H3;1H/t23-,24-,26?;/m0./s1
InChIKeyBHAYISJZSMOOAG-PLDOVBROSA-N
MW443.03 g/mol
LogP4.83
Rot. Bonds4

About N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride

N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride (PubChem CID 45260444) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
PubChem CID45260444
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC NameN-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl
InChIInChI=1S/C26H34N2O2.ClH/c1-27(25(29)18-21-10-6-9-20-8-2-3-11-22(20)21)23-12-14-26(13-7-17-30-26)19-24(23)28-15-4-5-16-28;/h2-3,6,8-11,23-24H,4-5,7,12-19H2,1H3;1H/t23-,24-,26?;/m0./s1
InChIKeyBHAYISJZSMOOAG-PLDOVBROSA-N
XLogP4.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.03
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The IUPAC name of N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride (CID 45260444) is N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride is CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl.
What is the InChIKey of N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The InChIKey is BHAYISJZSMOOAG-PLDOVBROSA-N. The full InChI is InChI=1S/C26H34N2O2.ClH/c1-27(25(29)18-21-10-6-9-20-8-2-3-11-22(20)21)23-12-14-26(13-7-17-30-26)19-24(23)28-15-4-5-16-28;/h2-3,6,8-11,23-24H,4-5,7,12-19H2,1H3;1H/t23-,24-,26?;/m0./s1.
What are the key properties of N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride has a molecular weight of 443.03 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-yl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride is sourced from PubChem (CID 45260444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).