N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide

C22H26N4O3 — CID 47629508

IUPACN-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCc2ccccc2-n2ccnc2)cc1OC
InChIInChI=1S/C22H26N4O3/c1-3-25-22(27)15-29-20-9-8-17(12-21(20)28-2)13-24-14-18-6-4-5-7-19(18)26-11-10-23-16-26/h4-12,16,24H,3,13-15H2,1-2H3,(H,25,27)
InChIKeyOMFQVTYBBPWHQQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.69
Rot. Bonds10

About N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide

N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 47629508) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID47629508
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCc2ccccc2-n2ccnc2)cc1OC
InChIInChI=1S/C22H26N4O3/c1-3-25-22(27)15-29-20-9-8-17(12-21(20)28-2)13-24-14-18-6-4-5-7-19(18)26-11-10-23-16-26/h4-12,16,24H,3,13-15H2,1-2H3,(H,25,27)
InChIKeyOMFQVTYBBPWHQQ-UHFFFAOYSA-N
XLogP2.69
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
CID 86843120
4-[5-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49248870
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 75478394
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
CID 131919120
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
N-ethyl-2-[2-methoxy-4-[[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111359309
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide (CID 47629508) is N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide is CCNC(=O)COc1ccc(CNCc2ccccc2-n2ccnc2)cc1OC.
What is the InChIKey of N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is OMFQVTYBBPWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25-22(27)15-29-20-9-8-17(12-21(20)28-2)13-24-14-18-6-4-5-7-19(18)26-11-10-23-16-26/h4-12,16,24H,3,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 47629508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).