N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide

C23H32N2O6 — CID 56598706

IUPACN-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCOCCOc1ccc(OCC(O)CNCCNC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C23H32N2O6/c1-2-29-12-13-30-21-6-8-22(9-7-21)31-17-20(27)16-24-10-11-25-23(28)15-18-4-3-5-19(26)14-18/h3-9,14,20,24,26-27H,2,10-13,15-17H2,1H3,(H,25,28)
InChIKeyYORDXIMYFRVFOB-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.50
Rot. Bonds15

About N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide

N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 56598706) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID56598706
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC NameN-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCOCCOc1ccc(OCC(O)CNCCNC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C23H32N2O6/c1-2-29-12-13-30-21-6-8-22(9-7-21)31-17-20(27)16-24-10-11-25-23(28)15-18-4-3-5-19(26)14-18/h3-9,14,20,24,26-27H,2,10-13,15-17H2,1H3,(H,25,28)
InChIKeyYORDXIMYFRVFOB-UHFFFAOYSA-N
XLogP1.50
TPSA109.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide
CID 66653064
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde
CID 173298642
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125
N-(1-ethoxy-3-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 103280835
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
2-(3-hydroxyphenyl)-N-(4-propoxyphenyl)acetamide
CID 62327820
N-[2-(4-ethoxyphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 30350207

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide (CID 56598706) is N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide is CCOCCOc1ccc(OCC(O)CNCCNC(=O)Cc2cccc(O)c2)cc1.
What is the InChIKey of N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is YORDXIMYFRVFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-2-29-12-13-30-21-6-8-22(9-7-21)31-17-20(27)16-24-10-11-25-23(28)15-18-4-3-5-19(26)14-18/h3-9,14,20,24,26-27H,2,10-13,15-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide?
N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 1.50, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 56598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).