ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate

C15H23NO5 — CID 15578596

IUPACethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate
SMILESCCOC(=O)CCNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H23NO5/c1-3-20-15(18)7-8-16-10-12(17)11-21-14-6-4-5-13(9-14)19-2/h4-6,9,12,16-17H,3,7-8,10-11H2,1-2H3
InChIKeyWEQFUJZGDTXOHY-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.98
Rot. Bonds10

About ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate

ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate (PubChem CID 15578596) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate
PubChem CID15578596
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nameethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate
SMILESCCOC(=O)CCNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C15H23NO5/c1-3-20-15(18)7-8-16-10-12(17)11-21-14-6-4-5-13(9-14)19-2/h4-6,9,12,16-17H,3,7-8,10-11H2,1-2H3
InChIKeyWEQFUJZGDTXOHY-UHFFFAOYSA-N
XLogP0.98
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

H-9/64
CID 3123920
1-Methylamino-3-phenoxy-propan-2-ol
CID 3148357
N-methyl-3-(3-phenoxyphenoxy)-1-propanamine oxalate
CID 2949339
Ethyl 4-[(2-hydroxy-3-phenoxypropyl)amino]butanoate
CID 15578575
Ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate
CID 15578592
1-(Cyclopentylamino)-3-(3-methoxyphenoxy)-2-propanol hydrochloride
CID 2968864
4-[3-(Tert-butylamino)-2-hydroxypropoxy]benzene-1,2-diol
CID 559926
1-[(2-Methylpropyl)amino]-3-phenoxypropan-2-ol
CID 235055
1-(3-Methoxyphenoxy)-3-(methylamino)propan-2-ol
CID 3107873
Ethyl 3-[(2-hydroxy-3-phenoxypropyl)amino]propanoate
CID 15578573
Ethyl 3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 15578594
1-((2-Methoxyethyl)amino)-3-phenoxy-2-propanol
CID 111016

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate (CID 15578596) is ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate is CCOC(=O)CCNCC(O)COc1cccc(OC)c1.
What is the InChIKey of ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate?
The InChIKey is WEQFUJZGDTXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-3-20-15(18)7-8-16-10-12(17)11-21-14-6-4-5-13(9-14)19-2/h4-6,9,12,16-17H,3,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate?
ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate has a molecular weight of 297.35 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]propanoate is sourced from PubChem (CID 15578596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).