1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone

C20H30N2O2 — CID 134073999

IUPAC1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCC(C)(C)NC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)21-17-14-20(24-15-17)9-11-22(12-10-20)18(23)13-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1-3H3
InChIKeyCAKNXTZLKVFRRR-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.77
Rot. Bonds3

About 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone

1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone (PubChem CID 134073999) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
PubChem CID134073999
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCC(C)(C)NC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)21-17-14-20(24-15-17)9-11-22(12-10-20)18(23)13-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1-3H3
InChIKeyCAKNXTZLKVFRRR-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 118744656
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 163310112
3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527325
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone (CID 134073999) is 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone is CC(C)(C)NC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The InChIKey is CAKNXTZLKVFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,3)21-17-14-20(24-15-17)9-11-22(12-10-20)18(23)13-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone has a molecular weight of 330.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone is sourced from PubChem (CID 134073999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).