2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

C80H80N8O16 — CID 139080611

IUPAC2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21
InChIInChI=1S/4C20H20N2O4/c4*1-4-22-12-17(16-11-15(26-3)9-10-18(16)22)19(23)20(24)21-13-5-7-14(25-2)8-6-13/h4*5-12H,4H2,1-3H3,(H,21,24)
InChIKeyVKWZJGSPQDTRJA-UHFFFAOYSA-N
MW1409.56 g/mol
LogP14.00
Rot. Bonds24

About 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 139080611) has the molecular formula C80H80N8O16 and a molecular weight of 1409.56 g/mol. Its IUPAC name is 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID139080611
Molecular FormulaC80H80N8O16
Molecular Weight1409.56 g/mol
Exact Mass1408.57
IUPAC Name2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21
InChIInChI=1S/4C20H20N2O4/c4*1-4-22-12-17(16-11-15(26-3)9-10-18(16)22)19(23)20(24)21-13-5-7-14(25-2)8-6-13/h4*5-12H,4H2,1-3H3,(H,21,24)
InChIKeyVKWZJGSPQDTRJA-UHFFFAOYSA-N
XLogP14.00
TPSA278.24 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.56
LogP ≤ 514.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Go 6983
CID 3499
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
3-[5-(benzyloxy)-1-methyl-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327675
2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 11024224
N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44597967
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576377
(6S)-6-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 122600567
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(1-propan-2-ylindol-6-yl)methyl]piperazin-2-one
CID 122600910
(6S)-6-benzyl-1-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600917
N-(4-methoxyphenyl)-2-oxo-2-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}acetamide
CID 3514052
3-[3-(2-aminoethyl)indol-1-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 44453285

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (CID 139080611) is 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.CCn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is VKWZJGSPQDTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H20N2O4/c4*1-4-22-12-17(16-11-15(26-3)9-10-18(16)22)19(23)20(24)21-13-5-7-14(25-2)8-6-13/h4*5-12H,4H2,1-3H3,(H,21,24).
What are the key properties of 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 1409.56 g/mol, XLogP of 14.00, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methoxyindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 139080611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).