N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

C21H22N2O3 — CID 113208457

IUPACN-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H22N2O3/c1-4-13-7-6-8-14(5-2)19(13)23-21(25)20(24)17-12-22-18-10-9-15(26-3)11-16(17)18/h6-12,22H,4-5H2,1-3H3,(H,23,25)
InChIKeyMTZNMPKMEQYTCG-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208457) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208457
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H22N2O3/c1-4-13-7-6-8-14(5-2)19(13)23-21(25)20(24)17-12-22-18-10-9-15(26-3)11-16(17)18/h6-12,22H,4-5H2,1-3H3,(H,23,25)
InChIKeyMTZNMPKMEQYTCG-UHFFFAOYSA-N
XLogP4.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 113208505
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
ethyl (2S)-2-[[2-(5-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541515
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (CID 113208457) is N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is CCc1cccc(CC)c1NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MTZNMPKMEQYTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-13-7-6-8-14(5-2)19(13)23-21(25)20(24)17-12-22-18-10-9-15(26-3)11-16(17)18/h6-12,22H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).