2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide

C21H29NO4 — CID 91782238

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide
SMILESCOC[C@@H]1[C@H](NC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)[C@@H]2CCO[C@H]12
InChIInChI=1S/C21H29NO4/c1-21(2,26-15-8-7-13-5-4-6-14(13)11-15)20(23)22-18-16-9-10-25-19(16)17(18)12-24-3/h7-8,11,16-19H,4-6,9-10,12H2,1-3H3,(H,22,23)/t16-,17+,18+,19-/m0/s1
InChIKeyJBMPLVIXUISQHN-MANSERQUSA-N
MW359.47 g/mol
LogP2.50
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide (PubChem CID 91782238) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide
PubChem CID91782238
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide
SMILESCOC[C@@H]1[C@H](NC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)[C@@H]2CCO[C@H]12
InChIInChI=1S/C21H29NO4/c1-21(2,26-15-8-7-13-5-4-6-14(13)11-15)20(23)22-18-16-9-10-25-19(16)17(18)12-24-3/h7-8,11,16-19H,4-6,9-10,12H2,1-3H3,(H,22,23)/t16-,17+,18+,19-/m0/s1
InChIKeyJBMPLVIXUISQHN-MANSERQUSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91784475
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91779099
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91761629
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
4-chloro-3-[[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]sulfamoyl]benzoic acid
CID 91771830
4-(3-hydroxy-3-methylbutyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91775495
6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 133266484
2-chloro-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)benzamide
CID 133268206
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133266446
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
4-chloro-3-fluoro-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91784239

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide (CID 91782238) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide is COC[C@@H]1[C@H](NC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)[C@@H]2CCO[C@H]12.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide?
The InChIKey is JBMPLVIXUISQHN-MANSERQUSA-N. The full InChI is InChI=1S/C21H29NO4/c1-21(2,26-15-8-7-13-5-4-6-14(13)11-15)20(23)22-18-16-9-10-25-19(16)17(18)12-24-3/h7-8,11,16-19H,4-6,9-10,12H2,1-3H3,(H,22,23)/t16-,17+,18+,19-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide has a molecular weight of 359.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide is sourced from PubChem (CID 91782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).