3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide

C15H22N2O2 — CID 113411041

IUPAC3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1cc2c(n1CCC(=O)NC(C)C)CCCC2=O
InChIInChI=1S/C15H22N2O2/c1-10(2)16-15(19)7-8-17-11(3)9-12-13(17)5-4-6-14(12)18/h9-10H,4-8H2,1-3H3,(H,16,19)
InChIKeyJBWNCQJWQJYAEG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds4

About 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide

3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 113411041) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide
PubChem CID113411041
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1cc2c(n1CCC(=O)NC(C)C)CCCC2=O
InChIInChI=1S/C15H22N2O2/c1-10(2)16-15(19)7-8-17-11(3)9-12-13(17)5-4-6-14(12)18/h9-10H,4-8H2,1-3H3,(H,16,19)
InChIKeyJBWNCQJWQJYAEG-UHFFFAOYSA-N
XLogP2.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide (CID 113411041) is 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide is Cc1cc2c(n1CCC(=O)NC(C)C)CCCC2=O.
What is the InChIKey of 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is JBWNCQJWQJYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)16-15(19)7-8-17-11(3)9-12-13(17)5-4-6-14(12)18/h9-10H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide?
3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113411041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).