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

C18H18N2O2 — CID 110768263

IUPACN-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-20-16-8-7-14(9-15(16)11-18(20)22)10-17(21)19-12-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyLCXWYPKIYALNOE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.06
Rot. Bonds4

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

N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (PubChem CID 110768263) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
PubChem CID110768263
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-20-16-8-7-14(9-15(16)11-18(20)22)10-17(21)19-12-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyLCXWYPKIYALNOE-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (CID 110768263) is N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is CN1C(=O)Cc2cc(CC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The InChIKey is LCXWYPKIYALNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-16-8-7-14(9-15(16)11-18(20)22)10-17(21)19-12-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is sourced from PubChem (CID 110768263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).