1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide

C22H26N2O4 — CID 55806959

IUPAC1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H26N2O4/c1-3-27-11-12-28-15-17-5-4-6-20(13-17)23-22(26)19-7-8-21-18(14-19)9-10-24(21)16(2)25/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyLWZYSJHANKEVRX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.40
Rot. Bonds8

About 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55806959) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55806959
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H26N2O4/c1-3-27-11-12-28-15-17-5-4-6-20(13-17)23-22(26)19-7-8-21-18(14-19)9-10-24(21)16(2)25/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyLWZYSJHANKEVRX-UHFFFAOYSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.40
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

1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 60524744
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 55806959) is 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide is CCOCCOCc1cccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is LWZYSJHANKEVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-11-12-28-15-17-5-4-6-20(13-17)23-22(26)19-7-8-21-18(14-19)9-10-24(21)16(2)25/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55806959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).