N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide

C20H22N2O2 — CID 3736296

IUPACN-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-14-8-9-19-18(12-14)17(10-11-21-15(2)23)20(24)22(19)13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyARPMFCUGFIYTNS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide

N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide (PubChem CID 3736296) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide
PubChem CID3736296
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-14-8-9-19-18(12-14)17(10-11-21-15(2)23)20(24)22(19)13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyARPMFCUGFIYTNS-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide (CID 3736296) is N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide is CC(=O)NCCC1C(=O)N(Cc2ccccc2)c2ccc(C)cc21.
What is the InChIKey of N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide?
The InChIKey is ARPMFCUGFIYTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-9-19-18(12-14)17(10-11-21-15(2)23)20(24)22(19)13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide?
N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 3736296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).