1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide

C15H20N2O — CID 18712124

IUPAC1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C15H20N2O/c1-10(2)11(3)16-15(18)14-9-12-7-5-6-8-13(12)17(14)4/h5-11H,1-4H3,(H,16,18)
InChIKeyUOBDDSWWGUYBGJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.95
Rot. Bonds3

About 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide

1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide (PubChem CID 18712124) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
PubChem CID18712124
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C15H20N2O/c1-10(2)11(3)16-15(18)14-9-12-7-5-6-8-13(12)17(14)4/h5-11H,1-4H3,(H,16,18)
InChIKeyUOBDDSWWGUYBGJ-UHFFFAOYSA-N
XLogP2.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
CID 10782216
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
CID 58417437
N-methanehydrazonoyl-1-methylindole-2-carboxamide
CID 137240676
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide (CID 18712124) is 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide is CC(C)C(C)NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide?
The InChIKey is UOBDDSWWGUYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)11(3)16-15(18)14-9-12-7-5-6-8-13(12)17(14)4/h5-11H,1-4H3,(H,16,18).
What are the key properties of 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide?
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide is sourced from PubChem (CID 18712124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).