(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone

C20H27NO6 — CID 118783227

IUPAC(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21
InChIInChI=1S/C20H27NO6/c1-24-16-4-3-5-17(25-2)18(16)19(22)21-10-13-11-27-9-7-20(13,23)14-12-26-8-6-15(14)21/h3-5,13-15,23H,6-12H2,1-2H3/t13-,14+,15-,20-/m0/s1
InChIKeyZIZKJBJMSNRLCM-YYQBIWNASA-N
MW377.44 g/mol
LogP1.33
Rot. Bonds3

About (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone

(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone (PubChem CID 118783227) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
PubChem CID118783227
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21
InChIInChI=1S/C20H27NO6/c1-24-16-4-3-5-17(25-2)18(16)19(22)21-10-13-11-27-9-7-20(13,23)14-12-26-8-6-15(14)21/h3-5,13-15,23H,6-12H2,1-2H3/t13-,14+,15-,20-/m0/s1
InChIKeyZIZKJBJMSNRLCM-YYQBIWNASA-N
XLogP1.33
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylimidazol-4-yl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
CID 118769125
(2-amino-4-methylpyrimidin-5-yl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
CID 118761133
(1S,2S,7S,10S)-N-benzyl-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carboxamide
CID 118785001
2-(2-chlorophenyl)-1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]ethanone
CID 118782338
1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]-2-(2-methylphenyl)sulfanylethanone
CID 118776999
6-ethyl-4-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carbonyl]-1H-pyridin-2-one
CID 118766140
(1S,2S,7S,10S)-1-hydroxy-N-(2-phenylethyl)-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carboxamide
CID 118768897
1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 118763939
(1S,2S,7S,10S)-N-(4-ethoxyphenyl)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecane-8-carboxamide
CID 118782805
1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 119066691
[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 118792952
1-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 118767641

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone (CID 118783227) is (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone is COc1cccc(OC)c1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21.
What is the InChIKey of (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone?
The InChIKey is ZIZKJBJMSNRLCM-YYQBIWNASA-N. The full InChI is InChI=1S/C20H27NO6/c1-24-16-4-3-5-17(25-2)18(16)19(22)21-10-13-11-27-9-7-20(13,23)14-12-26-8-6-15(14)21/h3-5,13-15,23H,6-12H2,1-2H3/t13-,14+,15-,20-/m0/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone?
(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone is sourced from PubChem (CID 118783227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).