N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide

C18H24N2O5 — CID 75453285

IUPACN-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NC1CCCC2(C1)OCCO2
InChIInChI=1S/C18H24N2O5/c21-16(12-19-17(22)13-23-15-6-2-1-3-7-15)20-14-5-4-8-18(11-14)24-9-10-25-18/h1-3,6-7,14H,4-5,8-13H2,(H,19,22)(H,20,21)
InChIKeyIMYZQUALADYTSL-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.98
Rot. Bonds6

About N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 75453285) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID75453285
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NC1CCCC2(C1)OCCO2
InChIInChI=1S/C18H24N2O5/c21-16(12-19-17(22)13-23-15-6-2-1-3-7-15)20-14-5-4-8-18(11-14)24-9-10-25-18/h1-3,6-7,14H,4-5,8-13H2,(H,19,22)(H,20,21)
InChIKeyIMYZQUALADYTSL-UHFFFAOYSA-N
XLogP0.98
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-(methylamino)acetamide
CID 130905377
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 75453285) is N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)NC1CCCC2(C1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is IMYZQUALADYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-16(12-19-17(22)13-23-15-6-2-1-3-7-15)20-14-5-4-8-18(11-14)24-9-10-25-18/h1-3,6-7,14H,4-5,8-13H2,(H,19,22)(H,20,21).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 75453285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).