N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C24H30N2O3 — CID 42341477

IUPACN-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1
InChIInChI=1S/C24H30N2O3/c1-19(27)25-17-23-10-11-24(29-23)12-14-26(15-13-24)18-20-6-5-9-22(16-20)28-21-7-3-2-4-8-21/h2-9,16,23H,10-15,17-18H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyVDFONPYPGHTLAJ-QHCPKHFHSA-N
MW394.52 g/mol
LogP4.13
Rot. Bonds6

About N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 42341477) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID42341477
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1
InChIInChI=1S/C24H30N2O3/c1-19(27)25-17-23-10-11-24(29-23)12-14-26(15-13-24)18-20-6-5-9-22(16-20)28-21-7-3-2-4-8-21/h2-9,16,23H,10-15,17-18H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyVDFONPYPGHTLAJ-QHCPKHFHSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide with MolForge

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Related Compounds

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
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
(2R)-N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-phenoxypropanamide
CID 42318491
N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 45173060
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-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131895443
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
CID 42367487

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 42341477) is N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1.
What is the InChIKey of N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is VDFONPYPGHTLAJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19(27)25-17-23-10-11-24(29-23)12-14-26(15-13-24)18-20-6-5-9-22(16-20)28-21-7-3-2-4-8-21/h2-9,16,23H,10-15,17-18H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 42341477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).