N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide

C14H18N2O2 — CID 2956948

IUPACN-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-9(2)8-16-12-7-5-4-6-11(12)13(14(16)18)15-10(3)17/h4-7,9,13H,8H2,1-3H3,(H,15,17)
InChIKeyUKBCDPWNBNVVCE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds3

About N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide

N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 2956948) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide
PubChem CID2956948
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-9(2)8-16-12-7-5-4-6-11(12)13(14(16)18)15-10(3)17/h4-7,9,13H,8H2,1-3H3,(H,15,17)
InChIKeyUKBCDPWNBNVVCE-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide (CID 2956948) is N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide is CC(=O)NC1C(=O)N(CC(C)C)c2ccccc21.
What is the InChIKey of N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is UKBCDPWNBNVVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)8-16-12-7-5-4-6-11(12)13(14(16)18)15-10(3)17/h4-7,9,13H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide?
N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 2956948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).