ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride

C23H30ClNO4 — CID 19983193

IUPACethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OCCCC2CN(Cc3ccccc3)CCO2)cc1.Cl
InChIInChI=1S/C23H29NO4.ClH/c1-2-26-23(25)20-10-12-21(13-11-20)27-15-6-9-22-18-24(14-16-28-22)17-19-7-4-3-5-8-19;/h3-5,7-8,10-13,22H,2,6,9,14-18H2,1H3;1H
InChIKeyBLFQXRRTUGAZNG-UHFFFAOYSA-N
MW419.95 g/mol
LogP4.35
Rot. Bonds9

About ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride

ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride (PubChem CID 19983193) has the molecular formula C23H30ClNO4 and a molecular weight of 419.95 g/mol. Its IUPAC name is ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
PubChem CID19983193
Molecular FormulaC23H30ClNO4
Molecular Weight419.95 g/mol
Exact Mass419.19
IUPAC Nameethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OCCCC2CN(Cc3ccccc3)CCO2)cc1.Cl
InChIInChI=1S/C23H29NO4.ClH/c1-2-26-23(25)20-10-12-21(13-11-20)27-15-6-9-22-18-24(14-16-28-22)17-19-7-4-3-5-8-19;/h3-5,7-8,10-13,22H,2,6,9,14-18H2,1H3;1H
InChIKeyBLFQXRRTUGAZNG-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
CID 55325638
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-[4-[(4-phenoxyphenyl)methyl]morpholin-2-yl]ethanamine
CID 74241226
(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55479602
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 56586482

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride (CID 19983193) is ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride is CCOC(=O)c1ccc(OCCCC2CN(Cc3ccccc3)CCO2)cc1.Cl.
What is the InChIKey of ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride?
The InChIKey is BLFQXRRTUGAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4.ClH/c1-2-26-23(25)20-10-12-21(13-11-20)27-15-6-9-22-18-24(14-16-28-22)17-19-7-4-3-5-8-19;/h3-5,7-8,10-13,22H,2,6,9,14-18H2,1H3;1H.
What are the key properties of ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride?
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride has a molecular weight of 419.95 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride is sourced from PubChem (CID 19983193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).