2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid

C26H26N2O5 — CID 175255452

IUPAC2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2.C9H11NO3/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13;1-12-6-3-4-7(9(10)11)8(5-6)13-2/h1-9,12H,10-11H2,(H,19,20);3-5H,1-2H3,(H2,10,11)
InChIKeyPSXUHXHOHRDXHJ-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.38
Rot. Bonds7

About 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid

2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid (PubChem CID 175255452) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
PubChem CID175255452
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2.C9H11NO3/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13;1-12-6-3-4-7(9(10)11)8(5-6)13-2/h1-9,12H,10-11H2,(H,19,20);3-5H,1-2H3,(H2,10,11)
InChIKeyPSXUHXHOHRDXHJ-UHFFFAOYSA-N
XLogP4.38
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
N-[[1-(3-amino-3-oxopropyl)indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 3973281
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
CID 25109967

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid?
The IUPAC name of 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid (CID 175255452) is 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid?
The canonical SMILES for 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid is COc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cn(CCc2ccccc2)c2ccccc12.
What is the InChIKey of 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid?
The InChIKey is PSXUHXHOHRDXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.C9H11NO3/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13;1-12-6-3-4-7(9(10)11)8(5-6)13-2/h1-9,12H,10-11H2,(H,19,20);3-5H,1-2H3,(H2,10,11).
What are the key properties of 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid?
2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid has a molecular weight of 446.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid is sourced from PubChem (CID 175255452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).