N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide

C19H20N2O3 — CID 110405900

IUPACN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
SMILESCC1C(=O)Nc2ccc(NC(=O)CCCOc3ccccc3)cc21
InChIInChI=1S/C19H20N2O3/c1-13-16-12-14(9-10-17(16)21-19(13)23)20-18(22)8-5-11-24-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHNAGVHPQOWWURW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.54
Rot. Bonds6

About N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide (PubChem CID 110405900) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
PubChem CID110405900
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
SMILESCC1C(=O)Nc2ccc(NC(=O)CCCOc3ccccc3)cc21
InChIInChI=1S/C19H20N2O3/c1-13-16-12-14(9-10-17(16)21-19(13)23)20-18(22)8-5-11-24-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHNAGVHPQOWWURW-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110667031
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 110406065
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
CID 110405988
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide (CID 110405900) is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide is CC1C(=O)Nc2ccc(NC(=O)CCCOc3ccccc3)cc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide?
The InChIKey is HNAGVHPQOWWURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-16-12-14(9-10-17(16)21-19(13)23)20-18(22)8-5-11-24-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide?
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide has a molecular weight of 324.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide is sourced from PubChem (CID 110405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).