N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide

C21H24N2O3 — CID 42423988

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-13-26-19-8-5-16(6-9-19)21(25)22-18-7-10-20-17(14-18)11-12-23(20)15(2)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyQLNNWAPCCOMEMZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.03
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide (PubChem CID 42423988) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
PubChem CID42423988
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-13-26-19-8-5-16(6-9-19)21(25)22-18-7-10-20-17(14-18)11-12-23(20)15(2)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyQLNNWAPCCOMEMZ-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
CID 39628262
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
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)-4-butoxybenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide (CID 42423988) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide?
The InChIKey is QLNNWAPCCOMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-4-13-26-19-8-5-16(6-9-19)21(25)22-18-7-10-20-17(14-18)11-12-23(20)15(2)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 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)-4-butoxybenzamide is sourced from PubChem (CID 42423988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).