N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide

C20H22N2O3 — CID 9270076

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C20H22N2O3/c1-22-13-16(15-6-4-5-7-17(15)22)20(23)21-11-10-14-8-9-18(24-2)19(12-14)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)
InChIKeyFCOBBPZYDZQRDV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 9270076) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID9270076
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C20H22N2O3/c1-22-13-16(15-6-4-5-7-17(15)22)20(23)21-11-10-14-8-9-18(24-2)19(12-14)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)
InChIKeyFCOBBPZYDZQRDV-UHFFFAOYSA-N
XLogP3.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 10570003
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 46435379
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
2-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxoisoquinoline-4-carboxamide
CID 4625887
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 86911932
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide (CID 9270076) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide is COc1ccc(CCNC(=O)c2cn(C)c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is FCOBBPZYDZQRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-13-16(15-6-4-5-7-17(15)22)20(23)21-11-10-14-8-9-18(24-2)19(12-14)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 9270076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).