N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

C15H22N2O3 — CID 106254086

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3/c1-15(19,6-8-20-2)10-17-14(18)12-3-4-13-11(9-12)5-7-16-13/h3-4,9,16,19H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyRCPRFVSOXMZJAZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.17
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 106254086) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID106254086
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3/c1-15(19,6-8-20-2)10-17-14(18)12-3-4-13-11(9-12)5-7-16-13/h3-4,9,16,19H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyRCPRFVSOXMZJAZ-UHFFFAOYSA-N
XLogP1.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106247626
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104761349

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 106254086) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is COCCC(C)(O)CNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is RCPRFVSOXMZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(19,6-8-20-2)10-17-14(18)12-3-4-13-11(9-12)5-7-16-13/h3-4,9,16,19H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 106254086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).