N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

C12H16N2O3 — CID 103999059

IUPACN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H16N2O3/c15-6-11(7-16)14-12(17)8-1-2-9-4-13-5-10(9)3-8/h1-3,11,13,15-16H,4-7H2,(H,14,17)
InChIKeyNSYMKIZPWVMOTG-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.63
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999059) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999059
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H16N2O3/c15-6-11(7-16)14-12(17)8-1-2-9-4-13-5-10(9)3-8/h1-3,11,13,15-16H,4-7H2,(H,14,17)
InChIKeyNSYMKIZPWVMOTG-UHFFFAOYSA-N
XLogP-0.63
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
CID 103998748
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363657
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999059) is N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(NC(CO)CO)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is NSYMKIZPWVMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-6-11(7-16)14-12(17)8-1-2-9-4-13-5-10(9)3-8/h1-3,11,13,15-16H,4-7H2,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).