1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone

C18H20N2O — CID 110454560

IUPAC1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O/c1-14(21)20-11-10-16-12-17(8-9-18(16)20)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeySUJSFPRNBANUJE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds3

About 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110454560) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110454560
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O/c1-14(21)20-11-10-16-12-17(8-9-18(16)20)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeySUJSFPRNBANUJE-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
CID 4135021
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193599
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 17461202

Frequently Asked Questions

What is the IUPAC name of 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone (CID 110454560) is 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(N(C)Cc3ccccc3)ccc21.
What is the InChIKey of 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is SUJSFPRNBANUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(21)20-11-10-16-12-17(8-9-18(16)20)19(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110454560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).