N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide

C26H39N3O5 — CID 74225151

IUPACN-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](COC(C)(C)C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1
InChIInChI=1S/C26H39N3O5/c1-19-8-6-7-9-22(19)33-17-23(31)28-13-10-26(11-14-28)12-15-29(18-26)24(32)21(27-20(2)30)16-34-25(3,4)5/h6-9,21H,10-18H2,1-5H3,(H,27,30)/t21-/m0/s1
InChIKeyGNYARRQWONFUSK-NRFANRHFSA-N
MW473.61 g/mol
LogP2.53
Rot. Bonds7

About N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide (PubChem CID 74225151) has the molecular formula C26H39N3O5 and a molecular weight of 473.61 g/mol. Its IUPAC name is N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide
PubChem CID74225151
Molecular FormulaC26H39N3O5
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC NameN-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](COC(C)(C)C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1
InChIInChI=1S/C26H39N3O5/c1-19-8-6-7-9-22(19)33-17-23(31)28-13-10-26(11-14-28)12-15-29(18-26)24(32)21(27-20(2)30)16-34-25(3,4)5/h6-9,21H,10-18H2,1-5H3,(H,27,30)/t21-/m0/s1
InChIKeyGNYARRQWONFUSK-NRFANRHFSA-N
XLogP2.53
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate
CID 3759568
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 3607871
N-[5-chloro-2-[(E)-3-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 6078595
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
methyl 3-[(2-methylpropan-2-yl)oxy]-2-[[8-(3-phenylprop-2-ynoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]propanoate
CID 5011056
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
CID 122138775
1-[2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-methylphenoxy)ethanone
CID 3859343
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818889
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366126
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide (CID 74225151) is N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1.
What is the InChIKey of N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide?
The InChIKey is GNYARRQWONFUSK-NRFANRHFSA-N. The full InChI is InChI=1S/C26H39N3O5/c1-19-8-6-7-9-22(19)33-17-23(31)28-13-10-26(11-14-28)12-15-29(18-26)24(32)21(27-20(2)30)16-34-25(3,4)5/h6-9,21H,10-18H2,1-5H3,(H,27,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide has a molecular weight of 473.61 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 74225151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).