2-(2-acetamido-1-benzylindol-3-yl)acetamide

C19H19N3O2 — CID 57105980

IUPAC2-(2-acetamido-1-benzylindol-3-yl)acetamide
SMILESCC(=O)Nc1c(CC(N)=O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-19-16(11-18(20)24)15-9-5-6-10-17(15)22(19)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyKOKUQUTYQFCAET-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-acetamido-1-benzylindol-3-yl)acetamide

2-(2-acetamido-1-benzylindol-3-yl)acetamide (PubChem CID 57105980) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-acetamido-1-benzylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1-benzylindol-3-yl)acetamide
PubChem CID57105980
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2-acetamido-1-benzylindol-3-yl)acetamide
SMILESCC(=O)Nc1c(CC(N)=O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(23)21-19-16(11-18(20)24)15-9-5-6-10-17(15)22(19)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyKOKUQUTYQFCAET-UHFFFAOYSA-N
XLogP2.68
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetamido-1-benzylindol-3-yl)acetamide 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

2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
CID 71397775
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl] acetate
CID 67727148
1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
CID 563323
5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]pentanoic acid
CID 67727165
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272
4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]sulfanylbutanoic acid
CID 10573634
1-benzyl-3-[(1-phenylethylamino)methyl]indole-2-carboxylic acid
CID 53207194
2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]oxybutanoic acid
CID 67726808
methyl 5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypentanoate
CID 10573508

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1-benzylindol-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-1-benzylindol-3-yl)acetamide (CID 57105980) is 2-(2-acetamido-1-benzylindol-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-1-benzylindol-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-1-benzylindol-3-yl)acetamide is CC(=O)Nc1c(CC(N)=O)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(2-acetamido-1-benzylindol-3-yl)acetamide?
The InChIKey is KOKUQUTYQFCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)21-19-16(11-18(20)24)15-9-5-6-10-17(15)22(19)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 2-(2-acetamido-1-benzylindol-3-yl)acetamide?
2-(2-acetamido-1-benzylindol-3-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1-benzylindol-3-yl)acetamide is sourced from PubChem (CID 57105980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).