N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

C22H23N3O2 — CID 91637888

IUPACN-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc2c(ccn2CCNC(=O)Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-24-15-17(19-5-3-4-6-21(19)24)14-22(26)23-10-12-25-11-9-16-13-18(27-2)7-8-20(16)25/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,23,26)
InChIKeyHAKQMQSCKPJSNT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide

N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 91637888) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID91637888
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc2c(ccn2CCNC(=O)Cc2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-24-15-17(19-5-3-4-6-21(19)24)14-22(26)23-10-12-25-11-9-16-13-18(27-2)7-8-20(16)25/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,23,26)
InChIKeyHAKQMQSCKPJSNT-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-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (CID 91637888) is N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is COc1ccc2c(ccn2CCNC(=O)Cc2cn(C)c3ccccc23)c1.
What is the InChIKey of N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is HAKQMQSCKPJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-15-17(19-5-3-4-6-21(19)24)14-22(26)23-10-12-25-11-9-16-13-18(27-2)7-8-20(16)25/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-(5-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-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 91637888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).