1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone

C19H27NO5 — CID 97399778

IUPAC1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCOC[C@H]1C[C@@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1
InChIInChI=1S/C19H27NO5/c1-3-23-12-17-11-19(14-25-17)13-24-9-8-20(19)18(21)10-15-4-6-16(22-2)7-5-15/h4-7,17H,3,8-14H2,1-2H3/t17-,19-/m1/s1
InChIKeyUMGNMDCOWLLRLX-IEBWSBKVSA-N
MW349.43 g/mol
LogP1.66
Rot. Bonds6

About 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone

1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 97399778) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID97399778
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCOC[C@H]1C[C@@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1
InChIInChI=1S/C19H27NO5/c1-3-23-12-17-11-19(14-25-17)13-24-9-8-20(19)18(21)10-15-4-6-16(22-2)7-5-15/h4-7,17H,3,8-14H2,1-2H3/t17-,19-/m1/s1
InChIKeyUMGNMDCOWLLRLX-IEBWSBKVSA-N
XLogP1.66
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone (CID 97399778) is 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone is CCOC[C@H]1C[C@@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1.
What is the InChIKey of 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is UMGNMDCOWLLRLX-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H27NO5/c1-3-23-12-17-11-19(14-25-17)13-24-9-8-20(19)18(21)10-15-4-6-16(22-2)7-5-15/h4-7,17H,3,8-14H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone?
1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 349.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 97399778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).