(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C17H23NO5 — CID 155876839

IUPAC(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)c(OC)c1
InChIInChI=1S/C17H23NO5/c1-20-12-4-5-14(15(8-12)22-3)16(19)18-7-6-17(11-18)9-13(21-2)10-23-17/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-,17+/m1/s1
InChIKeyAJSCYNUSUYWGHR-DYVFJYSZSA-N
MW321.37 g/mol
LogP1.72
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 155876839) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID155876839
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)c(OC)c1
InChIInChI=1S/C17H23NO5/c1-20-12-4-5-14(15(8-12)22-3)16(19)18-7-6-17(11-18)9-13(21-2)10-23-17/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-,17+/m1/s1
InChIKeyAJSCYNUSUYWGHR-DYVFJYSZSA-N
XLogP1.72
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
CID 131689296
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
CID 155986478
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 155876839) is (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is COc1ccc(C(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is AJSCYNUSUYWGHR-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H23NO5/c1-20-12-4-5-14(15(8-12)22-3)16(19)18-7-6-17(11-18)9-13(21-2)10-23-17/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 321.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 155876839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).