2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride

C16H24ClNO5 — CID 138398636

IUPAC2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
SMILESCCOc1c(OC)cccc1C(=O)OCCN1CCOCC1.Cl
InChIInChI=1S/C16H23NO5.ClH/c1-3-21-15-13(5-4-6-14(15)19-2)16(18)22-12-9-17-7-10-20-11-8-17;/h4-6H,3,7-12H2,1-2H3;1H
InChIKeyBXCRODMTBPUBJI-UHFFFAOYSA-N
MW345.82 g/mol
LogP2.00
Rot. Bonds7

About 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride

2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride (PubChem CID 138398636) has the molecular formula C16H24ClNO5 and a molecular weight of 345.82 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
PubChem CID138398636
Molecular FormulaC16H24ClNO5
Molecular Weight345.82 g/mol
Exact Mass345.13
IUPAC Name2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
SMILESCCOc1c(OC)cccc1C(=O)OCCN1CCOCC1.Cl
InChIInChI=1S/C16H23NO5.ClH/c1-3-21-15-13(5-4-6-14(15)19-2)16(18)22-12-9-17-7-10-20-11-8-17;/h4-6H,3,7-12H2,1-2H3;1H
InChIKeyBXCRODMTBPUBJI-UHFFFAOYSA-N
XLogP2.00
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
ethyl 5-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400669
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride (CID 138398636) is 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride is CCOc1c(OC)cccc1C(=O)OCCN1CCOCC1.Cl.
What is the InChIKey of 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride?
The InChIKey is BXCRODMTBPUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5.ClH/c1-3-21-15-13(5-4-6-14(15)19-2)16(18)22-12-9-17-7-10-20-11-8-17;/h4-6H,3,7-12H2,1-2H3;1H.
What are the key properties of 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride?
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride has a molecular weight of 345.82 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 138398636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).