2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride

C18H27ClN2O4 — CID 3075556

IUPAC2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
SMILESCc1ccc(C2CN(CCOC(=O)N3CCOCC3)CCO2)cc1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-15-2-4-16(5-3-15)17-14-19(6-12-23-17)7-13-24-18(21)20-8-10-22-11-9-20;/h2-5,17H,6-14H2,1H3;1H
InChIKeyFSDGZAWQCHYQCV-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride

2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride (PubChem CID 3075556) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
PubChem CID3075556
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
SMILESCc1ccc(C2CN(CCOC(=O)N3CCOCC3)CCO2)cc1.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-15-2-4-16(5-3-15)17-14-19(6-12-23-17)7-13-24-18(21)20-8-10-22-11-9-20;/h2-5,17H,6-14H2,1H3;1H
InChIKeyFSDGZAWQCHYQCV-UHFFFAOYSA-N
XLogP2.26
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The IUPAC name of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride (CID 3075556) is 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride.
What is the SMILES notation for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The canonical SMILES for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride is Cc1ccc(C2CN(CCOC(=O)N3CCOCC3)CCO2)cc1.Cl.
What is the InChIKey of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The InChIKey is FSDGZAWQCHYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4.ClH/c1-15-2-4-16(5-3-15)17-14-19(6-12-23-17)7-13-24-18(21)20-8-10-22-11-9-20;/h2-5,17H,6-14H2,1H3;1H.
What are the key properties of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride is sourced from PubChem (CID 3075556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).