3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate

C20H25NO6 — CID 67677147

IUPAC3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCCCNCC(O)COc1ccc(O)cc1
InChIInChI=1S/C20H25NO6/c22-16-7-9-19(10-8-16)26-14-17(23)13-21-11-4-12-25-20(24)15-27-18-5-2-1-3-6-18/h1-3,5-10,17,21-23H,4,11-15H2
InChIKeySWCMQOMBDBRDFA-UHFFFAOYSA-N
MW375.42 g/mol
LogP1.73
Rot. Bonds12

About 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate

3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate (PubChem CID 67677147) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
PubChem CID67677147
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCCCNCC(O)COc1ccc(O)cc1
InChIInChI=1S/C20H25NO6/c22-16-7-9-19(10-8-16)26-14-17(23)13-21-11-4-12-25-20(24)15-27-18-5-2-1-3-6-18/h1-3,5-10,17,21-23H,4,11-15H2
InChIKeySWCMQOMBDBRDFA-UHFFFAOYSA-N
XLogP1.73
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 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

methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate?
The IUPAC name of 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate (CID 67677147) is 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate?
The canonical SMILES for 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate is O=C(COc1ccccc1)OCCCNCC(O)COc1ccc(O)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate?
The InChIKey is SWCMQOMBDBRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c22-16-7-9-19(10-8-16)26-14-17(23)13-21-11-4-12-25-20(24)15-27-18-5-2-1-3-6-18/h1-3,5-10,17,21-23H,4,11-15H2.
What are the key properties of 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate?
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate has a molecular weight of 375.42 g/mol, XLogP of 1.73, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate is sourced from PubChem (CID 67677147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).