N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

C22H23N3O2 — CID 91638636

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-24-15-16(17-6-3-4-7-19(17)24)14-22(26)23-11-13-25-12-10-18-20(25)8-5-9-21(18)27-2/h3-10,12,15H,11,13-14H2,1-2H3,(H,23,26)
InChIKeyIJCOKZSELYONAS-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 91638636) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID91638636
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-24-15-16(17-6-3-4-7-19(17)24)14-22(26)23-11-13-25-12-10-18-20(25)8-5-9-21(18)27-2/h3-10,12,15H,11,13-14H2,1-2H3,(H,23,26)
InChIKeyIJCOKZSELYONAS-UHFFFAOYSA-N
XLogP3.50
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91637888
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017
N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56698870
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (CID 91638636) is N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is COc1cccc2c1ccn2CCNC(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is IJCOKZSELYONAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-15-16(17-6-3-4-7-19(17)24)14-22(26)23-11-13-25-12-10-18-20(25)8-5-9-21(18)27-2/h3-10,12,15H,11,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 91638636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).