N-methyl-N-propan-2-yl-1H-indole-2-carboxamide

C13H16N2O — CID 43420535

IUPACN-methyl-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N2O/c1-9(2)15(3)13(16)12-8-10-6-4-5-7-11(10)14-12/h4-9,14H,1-3H3
InChIKeyKICAQAOCEPJXFZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.65
Rot. Bonds2

About N-methyl-N-propan-2-yl-1H-indole-2-carboxamide

N-methyl-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 43420535) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID43420535
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-methyl-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N2O/c1-9(2)15(3)13(16)12-8-10-6-4-5-7-11(10)14-12/h4-9,14H,1-3H3
InChIKeyKICAQAOCEPJXFZ-UHFFFAOYSA-N
XLogP2.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 61040144
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
CID 61063579
N-(4-hydroxyphenyl)-N-methyl-1H-indole-2-carboxamide
CID 28739354
N-methyl-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 106936736
ethane;1H-indole-2-carboxylic acid
CID 91052830

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-1H-indole-2-carboxamide (CID 43420535) is N-methyl-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)N(C)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-methyl-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is KICAQAOCEPJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)15(3)13(16)12-8-10-6-4-5-7-11(10)14-12/h4-9,14H,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-1H-indole-2-carboxamide?
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 43420535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).