3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide

C26H38N2O6 — CID 138656939

IUPAC3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOc1ccc(CCNC(O)COCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H38N2O6/c1-21-4-8-23(9-5-21)33-16-3-15-32-20-26(30)28-14-12-22-6-10-24(11-7-22)34-19-18-31-17-13-25(29)27-2/h4-11,26,28,30H,3,12-20H2,1-2H3,(H,27,29)
InChIKeyPIAOASFMEDKXJZ-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.46
Rot. Bonds18

About 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide

3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide (PubChem CID 138656939) has the molecular formula C26H38N2O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide
PubChem CID138656939
Molecular FormulaC26H38N2O6
Molecular Weight474.60 g/mol
Exact Mass474.27
IUPAC Name3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOc1ccc(CCNC(O)COCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H38N2O6/c1-21-4-8-23(9-5-21)33-16-3-15-32-20-26(30)28-14-12-22-6-10-24(11-7-22)34-19-18-31-17-13-25(29)27-2/h4-11,26,28,30H,3,12-20H2,1-2H3,(H,27,29)
InChIKeyPIAOASFMEDKXJZ-UHFFFAOYSA-N
XLogP2.46
TPSA98.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide
CID 138657094
2-[3-[2-[4-[[1-hydroxy-7-(4-methylphenyl)heptyl]amino]phenoxy]ethoxy]propoxy]-N-methylacetamide
CID 167241916
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethoxy]-N-methylpropanamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[4-(4-methylphenoxy)butoxy]acetamide;N-methyl-2-[2-(4-methylphenoxy)ethoxy]acetamide;N-methyl-4-[2-(4-methylphenoxy)ethoxy]butanamide;N-methyl-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide;N-methyl-3-[2-(4-methylphenoxy)ethoxy]propanamide;N-methyl-3-(4-methylphenoxy)propanamide;N-methyl-2-[3-(4-methylphenoxy)propoxy]acetamide;N-methyl-3-[3-(4-methylphenoxy)propoxy]propanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[2-[2-(4-methylphenyl)ethoxy]ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide;N-methyl-2-[2-[(4-methylphenyl)methoxy]ethoxy]acetamide;N-methyl-2-[3-[(4-methylphenyl)methoxy]propoxy]acetamide;N-methyl-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethyl N-methylcarbamate
CID 159317433
N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
CID 159463012
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
CID 166004699
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenoxy)ethoxy]acetamide;N-methyl-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetamide;N-methyl-3-(4-methylphenoxy)propanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide;N-methyl-3-(4-methylphenyl)propanamide;1-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]butan-2-one;1-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-(4-methylphenyl)ethyl N-methylcarbamate
CID 160812423
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide (CID 138656939) is 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide is CNC(=O)CCOCCOc1ccc(CCNC(O)COCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide?
The InChIKey is PIAOASFMEDKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O6/c1-21-4-8-23(9-5-21)33-16-3-15-32-20-26(30)28-14-12-22-6-10-24(11-7-22)34-19-18-31-17-13-25(29)27-2/h4-11,26,28,30H,3,12-20H2,1-2H3,(H,27,29).
What are the key properties of 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide?
3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide has a molecular weight of 474.60 g/mol, XLogP of 2.46, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 138656939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).