N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide

C23H29N3O3 — CID 119114400

IUPACN-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCCc2c[nH]c3cccc(C)c23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-4-25-22(27)15-29-20-9-8-17(12-21(20)28-3)13-24-11-10-18-14-26-19-7-5-6-16(2)23(18)19/h5-9,12,14,24,26H,4,10-11,13,15H2,1-3H3,(H,25,27)
InChIKeyAIXMZQJIGDUEFD-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.33
Rot. Bonds10

About N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide (PubChem CID 119114400) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide
PubChem CID119114400
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCCc2c[nH]c3cccc(C)c23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-4-25-22(27)15-29-20-9-8-17(12-21(20)28-3)13-24-11-10-18-14-26-19-7-5-6-16(2)23(18)19/h5-9,12,14,24,26H,4,10-11,13,15H2,1-3H3,(H,25,27)
InChIKeyAIXMZQJIGDUEFD-UHFFFAOYSA-N
XLogP3.33
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111202119
2-(1H-indol-3-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294280
N-ethyl-2-[2-methoxy-4-[[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111359309
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55746045
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide (CID 119114400) is N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CNCCc2c[nH]c3cccc(C)c23)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is AIXMZQJIGDUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-25-22(27)15-29-20-9-8-17(12-21(20)28-3)13-24-11-10-18-14-26-19-7-5-6-16(2)23(18)19/h5-9,12,14,24,26H,4,10-11,13,15H2,1-3H3,(H,25,27).
What are the key properties of N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 119114400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).