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

C12H16N2O3 — CID 80567229

IUPACN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NC(CO)CO)C1CNc2ccccc21
InChIInChI=1S/C12H16N2O3/c15-6-8(7-16)14-12(17)10-5-13-11-4-2-1-3-9(10)11/h1-4,8,10,13,15-16H,5-7H2,(H,14,17)
InChIKeySTKXJSSGTNSVJU-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.33
Rot. Bonds4

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

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567229) 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-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567229
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NC(CO)CO)C1CNc2ccccc21
InChIInChI=1S/C12H16N2O3/c15-6-8(7-16)14-12(17)10-5-13-11-4-2-1-3-9(10)11/h1-4,8,10,13,15-16H,5-7H2,(H,14,17)
InChIKeySTKXJSSGTNSVJU-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107863327
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567149
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566385
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80567229) is N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NC(CO)CO)C1CNc2ccccc21.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is STKXJSSGTNSVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-6-8(7-16)14-12(17)10-5-13-11-4-2-1-3-9(10)11/h1-4,8,10,13,15-16H,5-7H2,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.33, 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-indole-3-carboxamide is sourced from PubChem (CID 80567229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).