N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide

C18H18N2O3 — CID 110357480

IUPACN-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-11-13-10-19-15-7-3-2-6-14(13)15/h2-10,19H,11-12H2,1H3,(H,20,21)
InChIKeyLXUDTGSLHCFEIX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide

N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 110357480) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID110357480
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-11-13-10-19-15-7-3-2-6-14(13)15/h2-10,19H,11-12H2,1H3,(H,20,21)
InChIKeyLXUDTGSLHCFEIX-UHFFFAOYSA-N
XLogP2.87
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 35123864
N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 54139796
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 113085260
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide (CID 110357480) is N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is LXUDTGSLHCFEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-11-13-10-19-15-7-3-2-6-14(13)15/h2-10,19H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide?
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 110357480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).