3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

C20H22N2O4 — CID 2988177

IUPAC3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H22N2O4/c1-24-15-5-6-17-16(11-15)14(12-22-17)8-9-21-20(23)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyUHDRIIGANHVXPN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 2988177) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID2988177
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H22N2O4/c1-24-15-5-6-17-16(11-15)14(12-22-17)8-9-21-20(23)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyUHDRIIGANHVXPN-UHFFFAOYSA-N
XLogP3.17
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085241
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
3,4-dimethoxy-N-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4873734
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096442
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (CID 2988177) is 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is UHDRIIGANHVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-15-5-6-17-16(11-15)14(12-22-17)8-9-21-20(23)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 2988177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).