N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide

C20H23N3O2 — CID 30706791

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3c(C)cccc3C)ccc21
InChIInChI=1S/C20H23N3O2/c1-13-5-4-6-14(2)20(13)21-12-19(25)22-17-7-8-18-16(11-17)9-10-23(18)15(3)24/h4-8,11,21H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyAENCPPVHSOZMHG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide (PubChem CID 30706791) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
PubChem CID30706791
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3c(C)cccc3C)ccc21
InChIInChI=1S/C20H23N3O2/c1-13-5-4-6-14(2)20(13)21-12-19(25)22-17-7-8-18-16(11-17)9-10-23(18)15(3)24/h4-8,11,21H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyAENCPPVHSOZMHG-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
CID 25380755
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 24511409
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119690413
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide (CID 30706791) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide is CC(=O)N1CCc2cc(NC(=O)CNc3c(C)cccc3C)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide?
The InChIKey is AENCPPVHSOZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-5-4-6-14(2)20(13)21-12-19(25)22-17-7-8-18-16(11-17)9-10-23(18)15(3)24/h4-8,11,21H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 30706791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).