N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide

C14H18N2O2 — CID 93033635

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-3-10(9-17)15-14(18)12-8-16(2)13-7-5-4-6-11(12)13/h4-8,10,17H,3,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyFMVTZHFDOLJJKB-SNVBAGLBSA-N
MW246.31 g/mol
LogP1.68
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide (PubChem CID 93033635) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
PubChem CID93033635
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-3-10(9-17)15-14(18)12-8-16(2)13-7-5-4-6-11(12)13/h4-8,10,17H,3,9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyFMVTZHFDOLJJKB-SNVBAGLBSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
CID 175772189
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide (CID 93033635) is N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide is CC[C@H](CO)NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide?
The InChIKey is FMVTZHFDOLJJKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10(9-17)15-14(18)12-8-16(2)13-7-5-4-6-11(12)13/h4-8,10,17H,3,9H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 93033635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).