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

C16H22N2O2 — CID 110781420

IUPAC2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H22N2O2/c1-4-12(5-2)16(20)17-10-11-6-7-14-13(8-11)9-15(19)18(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyCBVJYBAFRHCHBC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds5

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

2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide (PubChem CID 110781420) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
PubChem CID110781420
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H22N2O2/c1-4-12(5-2)16(20)17-10-11-6-7-14-13(8-11)9-15(19)18(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyCBVJYBAFRHCHBC-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
CID 116930762
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide (CID 110781420) is 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide?
The InChIKey is CBVJYBAFRHCHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(5-2)16(20)17-10-11-6-7-14-13(8-11)9-15(19)18(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide?
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide is sourced from PubChem (CID 110781420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).