1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone

C20H29NO4 — CID 97418104

IUPAC1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCOC[C@H]1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)CO1
InChIInChI=1S/C20H29NO4/c1-3-24-14-18-13-20(15-25-18)8-10-21(11-9-20)19(22)12-16-4-6-17(23-2)7-5-16/h4-7,18H,3,8-15H2,1-2H3/t18-/m1/s1
InChIKeyDQYASODDQXPOJT-GOSISDBHSA-N
MW347.45 g/mol
LogP2.67
Rot. Bonds6

About 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone

1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 97418104) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID97418104
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCOC[C@H]1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)CO1
InChIInChI=1S/C20H29NO4/c1-3-24-14-18-13-20(15-25-18)8-10-21(11-9-20)19(22)12-16-4-6-17(23-2)7-5-16/h4-7,18H,3,8-15H2,1-2H3/t18-/m1/s1
InChIKeyDQYASODDQXPOJT-GOSISDBHSA-N
XLogP2.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 97418153
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 131656240
1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone
CID 97399778
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
2-(4-hydroxyphenyl)-1-[3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 155875113
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-ethoxyethanone
CID 97418251
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 163310112
(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone (CID 97418104) is 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone is CCOC[C@H]1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)CO1.
What is the InChIKey of 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is DQYASODDQXPOJT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29NO4/c1-3-24-14-18-13-20(15-25-18)8-10-21(11-9-20)19(22)12-16-4-6-17(23-2)7-5-16/h4-7,18H,3,8-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone?
1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 347.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 97418104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).