N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide

C20H22N2O2 — CID 10892626

IUPACN-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
SMILESCOc1ccc2cc(CCNC(C)=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H22N2O2/c1-15(23)21-11-10-18-12-17-8-9-19(24-2)13-20(17)22(18)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyGIQNJZLDVYDYOY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide

N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide (PubChem CID 10892626) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
PubChem CID10892626
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
SMILESCOc1ccc2cc(CCNC(C)=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H22N2O2/c1-15(23)21-11-10-18-12-17-8-9-19(24-2)13-20(17)22(18)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyGIQNJZLDVYDYOY-UHFFFAOYSA-N
XLogP3.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
CID 59762275
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide (CID 10892626) is N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide is COc1ccc2cc(CCNC(C)=O)n(Cc3ccccc3)c2c1.
What is the InChIKey of N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide?
The InChIKey is GIQNJZLDVYDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(23)21-11-10-18-12-17-8-9-19(24-2)13-20(17)22(18)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide?
N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide is sourced from PubChem (CID 10892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).