N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H26N2O4 — CID 55892243

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3OCCOC)ccc21
InChIInChI=1S/C22H26N2O4/c1-4-21(25)24-10-9-16-14-17(6-8-19(16)24)22(26)23-18-7-5-15(2)13-20(18)28-12-11-27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyLYSFTXZBUKMASA-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55892243) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55892243
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3OCCOC)ccc21
InChIInChI=1S/C22H26N2O4/c1-4-21(25)24-10-9-16-14-17(6-8-19(16)24)22(26)23-18-7-5-15(2)13-20(18)28-12-11-27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyLYSFTXZBUKMASA-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55881880
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047894
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(4-methyl-2-propoxyphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 55901466
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87002069

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55892243) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3OCCOC)ccc21.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is LYSFTXZBUKMASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-21(25)24-10-9-16-14-17(6-8-19(16)24)22(26)23-18-7-5-15(2)13-20(18)28-12-11-27-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).