propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate

C20H25NO6 — CID 67677935

IUPACpropyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate
SMILESCCCOC(=O)C(NCC(O)COc1cccc(O)c1)Oc1ccccc1
InChIInChI=1S/C20H25NO6/c1-2-11-25-20(24)19(27-17-8-4-3-5-9-17)21-13-16(23)14-26-18-10-6-7-15(22)12-18/h3-10,12,16,19,21-23H,2,11,13-14H2,1H3
InChIKeyFEXXPEZAHGUCAH-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.08
Rot. Bonds11

About propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate

propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate (PubChem CID 67677935) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate.

Molecular Properties

Compound Namepropyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate
PubChem CID67677935
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Namepropyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate
SMILESCCCOC(=O)C(NCC(O)COc1cccc(O)c1)Oc1ccccc1
InChIInChI=1S/C20H25NO6/c1-2-11-25-20(24)19(27-17-8-4-3-5-9-17)21-13-16(23)14-26-18-10-6-7-15(22)12-18/h3-10,12,16,19,21-23H,2,11,13-14H2,1H3
InChIKeyFEXXPEZAHGUCAH-UHFFFAOYSA-N
XLogP2.08
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
4-[(3R)-3-[[(2S)-2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]butyl]benzamide
CID 70495016
4-[(3R)-3-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]butyl]benzamide;hydrochloride
CID 70496169
methyl 2-[(3-hydroxyphenoxy)methyl]pentanoate
CID 117242190
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate?
The IUPAC name of propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate (CID 67677935) is propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate.
What is the SMILES notation for propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate?
The canonical SMILES for propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate is CCCOC(=O)C(NCC(O)COc1cccc(O)c1)Oc1ccccc1.
What is the InChIKey of propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate?
The InChIKey is FEXXPEZAHGUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-2-11-25-20(24)19(27-17-8-4-3-5-9-17)21-13-16(23)14-26-18-10-6-7-15(22)12-18/h3-10,12,16,19,21-23H,2,11,13-14H2,1H3.
What are the key properties of propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate?
propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate has a molecular weight of 375.42 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate is sourced from PubChem (CID 67677935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).