2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C21H28N2O5 — CID 17213536

IUPAC2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNCCOCCO)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H28N2O5/c1-16-3-6-18(7-4-16)23-21(25)15-28-19-8-5-17(13-20(19)26-2)14-22-9-11-27-12-10-24/h3-8,13,22,24H,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyGTDKVFMGWSDHNI-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.12
Rot. Bonds12

About 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 17213536) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID17213536
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNCCOCCO)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H28N2O5/c1-16-3-6-18(7-4-16)23-21(25)15-28-19-8-5-17(13-20(19)26-2)14-22-9-11-27-12-10-24/h3-8,13,22,24H,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyGTDKVFMGWSDHNI-UHFFFAOYSA-N
XLogP2.12
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
2-[4-[[3-(diethylamino)propylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17215371
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213460
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide;hydrochloride
CID 17213459
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527914
2-[4-[(1,3-benzodioxol-5-ylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 17213536) is 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cc(CNCCOCCO)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is GTDKVFMGWSDHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-16-3-6-18(7-4-16)23-21(25)15-28-19-8-5-17(13-20(19)26-2)14-22-9-11-27-12-10-24/h3-8,13,22,24H,9-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 2.12, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 17213536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).