N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide

C21H25N3O2 — CID 109000852

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O2/c1-26-18-6-4-5-16(13-18)9-11-22-15-21(25)23-12-10-17-14-24-20-8-3-2-7-19(17)20/h2-8,13-14,22,24H,9-12,15H2,1H3,(H,23,25)
InChIKeyLWJQMZIBMBJYJJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.67
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (PubChem CID 109000852) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
PubChem CID109000852
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O2/c1-26-18-6-4-5-16(13-18)9-11-22-15-21(25)23-12-10-17-14-24-20-8-3-2-7-19(17)20/h2-8,13-14,22,24H,9-12,15H2,1H3,(H,23,25)
InChIKeyLWJQMZIBMBJYJJ-UHFFFAOYSA-N
XLogP2.67
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide (CID 109000852) is N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide is COc1cccc(CCNCC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The InChIKey is LWJQMZIBMBJYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-18-6-4-5-16(13-18)9-11-22-15-21(25)23-12-10-17-14-24-20-8-3-2-7-19(17)20/h2-8,13-14,22,24H,9-12,15H2,1H3,(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 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-(3-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109000852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).