N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide

C17H24N2O2 — CID 105061488

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H24N2O2/c20-17(7-6-16-3-1-2-8-21-16)19-10-13-4-5-14-11-18-12-15(14)9-13/h4-5,9,16,18H,1-3,6-8,10-12H2,(H,19,20)
InChIKeyHRYMHXKSSZCFSW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide (PubChem CID 105061488) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
PubChem CID105061488
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H24N2O2/c20-17(7-6-16-3-1-2-8-21-16)19-10-13-4-5-14-11-18-12-15(14)9-13/h4-5,9,16,18H,1-3,6-8,10-12H2,(H,19,20)
InChIKeyHRYMHXKSSZCFSW-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462
3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581050
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
CID 115365479
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide (CID 105061488) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide?
The InChIKey is HRYMHXKSSZCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(7-6-16-3-1-2-8-21-16)19-10-13-4-5-14-11-18-12-15(14)9-13/h4-5,9,16,18H,1-3,6-8,10-12H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 105061488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).