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

C15H22N2O2 — CID 106188200

IUPAC(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-14(2,15(3,4)19)17-13(18)12-9-10-7-5-6-8-11(10)16-12/h5-8,12,16,19H,9H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyHCBRRAWZTIFGOT-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds3

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

(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106188200) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106188200
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-14(2,15(3,4)19)17-13(18)12-9-10-7-5-6-8-11(10)16-12/h5-8,12,16,19H,9H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyHCBRRAWZTIFGOT-LBPRGKRZSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 106188200) is (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HCBRRAWZTIFGOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,15(3,4)19)17-13(18)12-9-10-7-5-6-8-11(10)16-12/h5-8,12,16,19H,9H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106188200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).