N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide

C17H23NO3 — CID 111696515

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)NC2c3ccccc3CC2O)O1
InChIInChI=1S/C17H23NO3/c1-11-6-7-13(21-11)8-9-16(20)18-17-14-5-3-2-4-12(14)10-15(17)19/h2-5,11,13,15,17,19H,6-10H2,1H3,(H,18,20)
InChIKeySGWQYKDITBFJQD-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.11
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide (PubChem CID 111696515) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide
PubChem CID111696515
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)NC2c3ccccc3CC2O)O1
InChIInChI=1S/C17H23NO3/c1-11-6-7-13(21-11)8-9-16(20)18-17-14-5-3-2-4-12(14)10-15(17)19/h2-5,11,13,15,17,19H,6-10H2,1H3,(H,18,20)
InChIKeySGWQYKDITBFJQD-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(oxolan-2-yl)propanamide
CID 103816964
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(oxan-2-yl)propanamide
CID 63952367
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696413
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide (CID 111696515) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide is CC1CCC(CCC(=O)NC2c3ccccc3CC2O)O1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide?
The InChIKey is SGWQYKDITBFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-6-7-13(21-11)8-9-16(20)18-17-14-5-3-2-4-12(14)10-15(17)19/h2-5,11,13,15,17,19H,6-10H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide has a molecular weight of 289.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(5-methyloxolan-2-yl)propanamide is sourced from PubChem (CID 111696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).