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

C19H25NO3 — CID 91784475

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C19H25NO3/c1-19(2,18(21)20-16-11-17-15(16)8-9-22-17)23-14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3,(H,20,21)/t15-,16+,17+/m1/s1
InChIKeyNKLAYJXYTKLRLH-IKGGRYGDSA-N
MW315.41 g/mol
LogP2.63
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 91784475) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
PubChem CID91784475
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C19H25NO3/c1-19(2,18(21)20-16-11-17-15(16)8-9-22-17)23-14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3,(H,20,21)/t15-,16+,17+/m1/s1
InChIKeyNKLAYJXYTKLRLH-IKGGRYGDSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide 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

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
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
CID 135095485
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide
CID 91780881
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 70717649
(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95710956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The IUPAC name of 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) is 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The InChIKey is NKLAYJXYTKLRLH-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2,18(21)20-16-11-17-15(16)8-9-22-17)23-14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3,(H,20,21)/t15-,16+,17+/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 315.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 91784475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).