N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

C14H20N2O2 — CID 113376258

IUPACN-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-9(7-10(2)17)16-14(18)12-8-15-13-6-4-3-5-11(12)13/h3-6,9-10,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyMLPAGKJVGYQBMY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 113376258) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID113376258
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-9(7-10(2)17)16-14(18)12-8-15-13-6-4-3-5-11(12)13/h3-6,9-10,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyMLPAGKJVGYQBMY-UHFFFAOYSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-(1-piperidin-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564582
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113376584
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
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
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 113376258) is N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is CC(O)CC(C)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is MLPAGKJVGYQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(7-10(2)17)16-14(18)12-8-15-13-6-4-3-5-11(12)13/h3-6,9-10,12,15,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 113376258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).