2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C23H22N2O5 — CID 36543552

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-18-10-14(11-19(29-2)22(18)30-3)12-24-20(26)13-25-17-9-5-7-15-6-4-8-16(21(15)17)23(25)27/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyJYUHWNLEPWHSKU-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 36543552) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID36543552
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-18-10-14(11-19(29-2)22(18)30-3)12-24-20(26)13-25-17-9-5-7-15-6-4-8-16(21(15)17)23(25)27/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyJYUHWNLEPWHSKU-UHFFFAOYSA-N
XLogP3.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 99951576
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 133201550
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36550176
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 36543552) is 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is JYUHWNLEPWHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-18-10-14(11-19(29-2)22(18)30-3)12-24-20(26)13-25-17-9-5-7-15-6-4-8-16(21(15)17)23(25)27/h4-11H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 36543552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).