N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide

C19H18N2O4 — CID 2229582

IUPACN-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C=O)c3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-24-14-7-8-18(25-2)16(9-14)20-19(23)11-21-10-13(12-22)15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyAUINKFQAFUWXSR-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.11
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 2229582) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID2229582
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C=O)c3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-24-14-7-8-18(25-2)16(9-14)20-19(23)11-21-10-13(12-22)15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyAUINKFQAFUWXSR-UHFFFAOYSA-N
XLogP3.11
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
Piperazine, 1-benzoyl-4-[(4,7-dimethoxy-1H-indol-3-yl)oxoacetyl]-
CID 506234
1-[2-(4-Methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 589080
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330
1-[2-(2-methylphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 817595
1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 817597
6-(2,5-dimethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 888493

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide (CID 2229582) is N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(C=O)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is AUINKFQAFUWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-14-7-8-18(25-2)16(9-14)20-19(23)11-21-10-13(12-22)15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 2229582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).