3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide

C31H44N2O3 — CID 23522461

IUPAC3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
SMILESCCCCCCCCCCCCCCOc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C31H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-36-29-21-16-14-19-27(29)32-30(34)25-31(35)33-23-22-26-18-13-15-20-28(26)33/h13-16,18-21H,2-12,17,22-25H2,1H3,(H,32,34)
InChIKeyRNYZMCJAVZATGF-UHFFFAOYSA-N
MW492.70 g/mol
LogP7.68
Rot. Bonds17

About 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide

3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide (PubChem CID 23522461) has the molecular formula C31H44N2O3 and a molecular weight of 492.70 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
PubChem CID23522461
Molecular FormulaC31H44N2O3
Molecular Weight492.70 g/mol
Exact Mass492.34
IUPAC Name3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
SMILESCCCCCCCCCCCCCCOc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C31H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-36-29-21-16-14-19-27(29)32-30(34)25-31(35)33-23-22-26-18-13-15-20-28(26)33/h13-16,18-21H,2-12,17,22-25H2,1H3,(H,32,34)
InChIKeyRNYZMCJAVZATGF-UHFFFAOYSA-N
XLogP7.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.70
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
CID 67615557
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide (CID 23522461) is 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide is CCCCCCCCCCCCCCOc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide?
The InChIKey is RNYZMCJAVZATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-36-29-21-16-14-19-27(29)32-30(34)25-31(35)33-23-22-26-18-13-15-20-28(26)33/h13-16,18-21H,2-12,17,22-25H2,1H3,(H,32,34).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide?
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide has a molecular weight of 492.70 g/mol, XLogP of 7.68, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide is sourced from PubChem (CID 23522461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).