N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide

C20H22N2O2 — CID 4887560

IUPACN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
SMILESCOc1ccc2c(CCNC(=O)c3cc(C)cc(C)c3)c[nH]c2c1
InChIInChI=1S/C20H22N2O2/c1-13-8-14(2)10-16(9-13)20(23)21-7-6-15-12-22-19-11-17(24-3)4-5-18(15)19/h4-5,8-12,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyWOKNAAUJULMWBG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide (PubChem CID 4887560) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
PubChem CID4887560
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
SMILESCOc1ccc2c(CCNC(=O)c3cc(C)cc(C)c3)c[nH]c2c1
InChIInChI=1S/C20H22N2O2/c1-13-8-14(2)10-16(9-13)20(23)21-7-6-15-12-22-19-11-17(24-3)4-5-18(15)19/h4-5,8-12,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyWOKNAAUJULMWBG-UHFFFAOYSA-N
XLogP3.77
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide (CID 4887560) is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide is COc1ccc2c(CCNC(=O)c3cc(C)cc(C)c3)c[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide?
The InChIKey is WOKNAAUJULMWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-14(2)10-16(9-13)20(23)21-7-6-15-12-22-19-11-17(24-3)4-5-18(15)19/h4-5,8-12,22H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide?
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 4887560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).