(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

C14H20N2O2 — CID 65106564

IUPAC(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(C)(O)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-3-14(2,18)9-15-13(17)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16,18H,3,8-9H2,1-2H3,(H,15,17)/t12-,14?/m0/s1
InChIKeyISJFZIUUNLUCAR-NBFOIZRFSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds4

About (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 65106564) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID65106564
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(C)(O)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-3-14(2,18)9-15-13(17)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16,18H,3,8-9H2,1-2H3,(H,15,17)/t12-,14?/m0/s1
InChIKeyISJFZIUUNLUCAR-NBFOIZRFSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77008814
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106188200
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
2-[[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]methyl]butanoic acid
CID 65224491
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764
2-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]butanoic acid
CID 77061382

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 65106564) is (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is CCC(C)(O)CNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ISJFZIUUNLUCAR-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(2,18)9-15-13(17)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16,18H,3,8-9H2,1-2H3,(H,15,17)/t12-,14?/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 65106564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).