N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide

C22H26N2O3 — CID 110358439

IUPACN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCCOc3ccccc3)ccc21
InChIInChI=1S/C22H26N2O3/c1-16(2)22(26)24-13-12-17-15-18(10-11-20(17)24)23-21(25)9-6-14-27-19-7-4-3-5-8-19/h3-5,7-8,10-11,15-16H,6,9,12-14H2,1-2H3,(H,23,25)
InChIKeyDXZSZDLHFVTETD-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide (PubChem CID 110358439) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
PubChem CID110358439
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)CCCOc3ccccc3)ccc21
InChIInChI=1S/C22H26N2O3/c1-16(2)22(26)24-13-12-17-15-18(10-11-20(17)24)23-21(25)9-6-14-27-19-7-4-3-5-8-19/h3-5,7-8,10-11,15-16H,6,9,12-14H2,1-2H3,(H,23,25)
InChIKeyDXZSZDLHFVTETD-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
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

1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
CID 110609573
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110356694
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498760
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 110609563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide (CID 110358439) is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide is CC(C)C(=O)N1CCc2cc(NC(=O)CCCOc3ccccc3)ccc21.
What is the InChIKey of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide?
The InChIKey is DXZSZDLHFVTETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)22(26)24-13-12-17-15-18(10-11-20(17)24)23-21(25)9-6-14-27-19-7-4-3-5-8-19/h3-5,7-8,10-11,15-16H,6,9,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide?
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide has a molecular weight of 366.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide is sourced from PubChem (CID 110358439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).