N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide

C26H32N2O3 — CID 45173060

IUPACN-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1
InChIInChI=1S/C26H32N2O3/c1-30-18-25(29)27-16-22-8-9-26(31-22)10-12-28(13-11-26)17-19-6-7-24-21(14-19)15-20-4-2-3-5-23(20)24/h2-7,14,22H,8-13,15-18H2,1H3,(H,27,29)
InChIKeyBIOCVYBKBNRCHN-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.53
Rot. Bonds6

About N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide

N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 45173060) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
PubChem CID45173060
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1
InChIInChI=1S/C26H32N2O3/c1-30-18-25(29)27-16-22-8-9-26(31-22)10-12-28(13-11-26)17-19-6-7-24-21(14-19)15-20-4-2-3-5-23(20)24/h2-7,14,22H,8-13,15-18H2,1H3,(H,27,29)
InChIKeyBIOCVYBKBNRCHN-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 42248554
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
N-[[8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45207665
N-[[(2S)-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 42501115
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]but-3-enamide
CID 45209586

Frequently Asked Questions

What is the IUPAC name of N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide (CID 45173060) is N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1.
What is the InChIKey of N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is BIOCVYBKBNRCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-30-18-25(29)27-16-22-8-9-26(31-22)10-12-28(13-11-26)17-19-6-7-24-21(14-19)15-20-4-2-3-5-23(20)24/h2-7,14,22H,8-13,15-18H2,1H3,(H,27,29).
What are the key properties of N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 420.55 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 45173060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).