N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide

C22H27N3O2 — CID 8805917

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16-8-9-21(27-3)18(12-16)14-25(2)15-22(26)23-11-10-17-13-24-20-7-5-4-6-19(17)20/h4-9,12-13,24H,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyUJYUGMJGZQMZFB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide (PubChem CID 8805917) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
PubChem CID8805917
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16-8-9-21(27-3)18(12-16)14-25(2)15-22(26)23-11-10-17-13-24-20-7-5-4-6-19(17)20/h4-9,12-13,24H,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyUJYUGMJGZQMZFB-UHFFFAOYSA-N
XLogP3.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8694916
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 17403987
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide (CID 8805917) is N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide is COc1ccc(C)cc1CN(C)CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The InChIKey is UJYUGMJGZQMZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-8-9-21(27-3)18(12-16)14-25(2)15-22(26)23-11-10-17-13-24-20-7-5-4-6-19(17)20/h4-9,12-13,24H,10-11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8805917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).