4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide

C23H32N2O6 — CID 66653064

IUPAC4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide
SMILESCCOCCOc1ccc(OCC(O)CNCCC(C(N)=O)c2ccccc2O)cc1
InChIInChI=1S/C23H32N2O6/c1-2-29-13-14-30-18-7-9-19(10-8-18)31-16-17(26)15-25-12-11-21(23(24)28)20-5-3-4-6-22(20)27/h3-10,17,21,25-27H,2,11-16H2,1H3,(H2,24,28)
InChIKeyFYCMOWSMDROVHH-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.80
Rot. Bonds15

About 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide

4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide (PubChem CID 66653064) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide
PubChem CID66653064
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide
SMILESCCOCCOc1ccc(OCC(O)CNCCC(C(N)=O)c2ccccc2O)cc1
InChIInChI=1S/C23H32N2O6/c1-2-29-13-14-30-18-7-9-19(10-8-18)31-16-17(26)15-25-12-11-21(23(24)28)20-5-3-4-6-22(20)27/h3-10,17,21,25-27H,2,11-16H2,1H3,(H2,24,28)
InChIKeyFYCMOWSMDROVHH-UHFFFAOYSA-N
XLogP1.80
TPSA123.27 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 ≤ 51.80
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

N-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-(3-hydroxyphenyl)acetamide
CID 56598706
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide?
The IUPAC name of 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide (CID 66653064) is 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide?
The canonical SMILES for 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide is CCOCCOc1ccc(OCC(O)CNCCC(C(N)=O)c2ccccc2O)cc1.
What is the InChIKey of 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide?
The InChIKey is FYCMOWSMDROVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-2-29-13-14-30-18-7-9-19(10-8-18)31-16-17(26)15-25-12-11-21(23(24)28)20-5-3-4-6-22(20)27/h3-10,17,21,25-27H,2,11-16H2,1H3,(H2,24,28).
What are the key properties of 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide?
4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide has a molecular weight of 432.52 g/mol, XLogP of 1.80, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-2-(2-hydroxyphenyl)butanamide is sourced from PubChem (CID 66653064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).