N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide

C22H25N3O2 — CID 26286651

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-16-7-6-8-17(2)22(16)23-20(26)15-24(3)21(27)12-14-25-13-11-18-9-4-5-10-19(18)25/h4-11,13H,12,14-15H2,1-3H3,(H,23,26)
InChIKeyNROQTDJVWXWEPK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide (PubChem CID 26286651) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
PubChem CID26286651
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-16-7-6-8-17(2)22(16)23-20(26)15-24(3)21(27)12-14-25-13-11-18-9-4-5-10-19(18)25/h4-11,13H,12,14-15H2,1-3H3,(H,23,26)
InChIKeyNROQTDJVWXWEPK-UHFFFAOYSA-N
XLogP3.75
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide 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

3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768085
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
CID 18112996
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 8501081
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide (CID 26286651) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide?
The InChIKey is NROQTDJVWXWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-7-6-8-17(2)22(16)23-20(26)15-24(3)21(27)12-14-25-13-11-18-9-4-5-10-19(18)25/h4-11,13H,12,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide is sourced from PubChem (CID 26286651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).