N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide

C23H28N2O3 — CID 86963718

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1
InChIInChI=1S/C23H28N2O3/c1-4-27-10-11-28-15-19-7-5-6-18(12-19)14-24-23(26)22-13-20-17(3)16(2)8-9-21(20)25-22/h5-9,12-13,25H,4,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyRPJAWYRCMQFYSD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.27
Rot. Bonds9

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 86963718) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
PubChem CID86963718
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1
InChIInChI=1S/C23H28N2O3/c1-4-27-10-11-28-15-19-7-5-6-18(12-19)14-24-23(26)22-13-20-17(3)16(2)8-9-21(20)25-22/h5-9,12-13,25H,4,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyRPJAWYRCMQFYSD-UHFFFAOYSA-N
XLogP4.27
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.27
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-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
N-[3-[[3-(2-ethoxyethoxymethyl)phenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 39587196
4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
CID 55689397
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
CID 86940542
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-nitrobenzamide
CID 39587833
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55838174
5-(2,5-dimethylpyrrol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 60573945
3-(dimethylsulfamoyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-fluorobenzamide
CID 55796196

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide (CID 86963718) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide is CCOCCOCc1cccc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is RPJAWYRCMQFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-27-10-11-28-15-19-7-5-6-18(12-19)14-24-23(26)22-13-20-17(3)16(2)8-9-21(20)25-22/h5-9,12-13,25H,4,10-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 86963718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).