N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide

C12H14N2O2 — CID 148811384

IUPACN-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
SMILESCCC(=O)NC1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-3-10(15)14-12(2)8-6-4-5-7-9(8)13-11(12)16/h4-7H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOPZCUKAMRFVWEE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.38
Rot. Bonds2

About N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide

N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide (PubChem CID 148811384) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
PubChem CID148811384
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
SMILESCCC(=O)NC1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-3-10(15)14-12(2)8-6-4-5-7-9(8)13-11(12)16/h4-7H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOPZCUKAMRFVWEE-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide (CID 148811384) is N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide is CCC(=O)NC1(C)C(=O)Nc2ccccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide?
The InChIKey is OPZCUKAMRFVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-10(15)14-12(2)8-6-4-5-7-9(8)13-11(12)16/h4-7H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide?
N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide is sourced from PubChem (CID 148811384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).