N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide

C21H19N3O3 — CID 127044209

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2c(C(=O)C(=O)NCCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C21H19N3O3/c1-27-14-6-7-16-17(12-24-19(16)10-14)20(25)21(26)22-9-8-13-11-23-18-5-3-2-4-15(13)18/h2-7,10-12,23-24H,8-9H2,1H3,(H,22,26)
InChIKeyBPWMPNAFYBLOQA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 127044209) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID127044209
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2c(C(=O)C(=O)NCCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C21H19N3O3/c1-27-14-6-7-16-17(12-24-19(16)10-14)20(25)21(26)22-9-8-13-11-23-18-5-3-2-4-15(13)18/h2-7,10-12,23-24H,8-9H2,1H3,(H,22,26)
InChIKeyBPWMPNAFYBLOQA-UHFFFAOYSA-N
XLogP3.20
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide (CID 127044209) is N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide is COc1ccc2c(C(=O)C(=O)NCCc3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BPWMPNAFYBLOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-14-6-7-16-17(12-24-19(16)10-14)20(25)21(26)22-9-8-13-11-23-18-5-3-2-4-15(13)18/h2-7,10-12,23-24H,8-9H2,1H3,(H,22,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 361.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 127044209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).