N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

C14H20N2O2 — CID 65106509

IUPACN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O2/c1-3-14(2,18)9-16-13(17)11-4-5-12-10(8-11)6-7-15-12/h4-5,8,15,18H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyKSFUYVAISIMQKW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 65106509) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID65106509
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O2/c1-3-14(2,18)9-16-13(17)11-4-5-12-10(8-11)6-7-15-12/h4-5,8,15,18H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyKSFUYVAISIMQKW-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106247626
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 65106509) is N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is CCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is KSFUYVAISIMQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(2,18)9-16-13(17)11-4-5-12-10(8-11)6-7-15-12/h4-5,8,15,18H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 65106509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).