N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C28H32N2O3 — CID 45166399

IUPACN-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCOc1ccc2ccccc2c1CN1CCC2(CCC(CNC(=O)c3ccccc3)O2)CC1
InChIInChI=1S/C28H32N2O3/c1-32-26-12-11-21-7-5-6-10-24(21)25(26)20-30-17-15-28(16-18-30)14-13-23(33-28)19-29-27(31)22-8-3-2-4-9-22/h2-12,23H,13-20H2,1H3,(H,29,31)
InChIKeyBOKYKOBEZKSTQU-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.79
Rot. Bonds6

About N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 45166399) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID45166399
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCOc1ccc2ccccc2c1CN1CCC2(CCC(CNC(=O)c3ccccc3)O2)CC1
InChIInChI=1S/C28H32N2O3/c1-32-26-12-11-21-7-5-6-10-24(21)25(26)20-30-17-15-28(16-18-30)14-13-23(33-28)19-29-27(31)22-8-3-2-4-9-22/h2-12,23H,13-20H2,1H3,(H,29,31)
InChIKeyBOKYKOBEZKSTQU-UHFFFAOYSA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]but-3-enamide
CID 45209586
N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 42248554
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42434300
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366
N-[[(2S)-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 42501115
N-[[8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45207665
N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42379776
N-[[8-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 75099032
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794

Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 45166399) is N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is COc1ccc2ccccc2c1CN1CCC2(CCC(CNC(=O)c3ccccc3)O2)CC1.
What is the InChIKey of N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is BOKYKOBEZKSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-26-12-11-21-7-5-6-10-24(21)25(26)20-30-17-15-28(16-18-30)14-13-23(33-28)19-29-27(31)22-8-3-2-4-9-22/h2-12,23H,13-20H2,1H3,(H,29,31).
What are the key properties of N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 45166399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).