4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide

C16H22N2O — CID 124674116

IUPAC4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
SMILESCC[C@H](C)CNC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C16H22N2O/c1-5-10(2)9-17-16(19)15-8-13-12(4)6-11(3)7-14(13)18-15/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyCZWQSZBTNMJOHD-JTQLQIEISA-N
MW258.37 g/mol
LogP3.56
Rot. Bonds4

About 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide (PubChem CID 124674116) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
PubChem CID124674116
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
SMILESCC[C@H](C)CNC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C16H22N2O/c1-5-10(2)9-17-16(19)15-8-13-12(4)6-11(3)7-14(13)18-15/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyCZWQSZBTNMJOHD-JTQLQIEISA-N
XLogP3.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide (CID 124674116) is 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide is CC[C@H](C)CNC(=O)c1cc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide?
The InChIKey is CZWQSZBTNMJOHD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-10(2)9-17-16(19)15-8-13-12(4)6-11(3)7-14(13)18-15/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 124674116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).