N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide

C15H22N2O4 — CID 136542154

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4/c1-16(15(18)17-8-10-20-11-9-17)7-12-21-14-5-3-13(19-2)4-6-14/h3-6H,7-12H2,1-2H3
InChIKeyCLBGWMLTLYKFPO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 136542154) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
PubChem CID136542154
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4/c1-16(15(18)17-8-10-20-11-9-17)7-12-21-14-5-3-13(19-2)4-6-14/h3-6H,7-12H2,1-2H3
InChIKeyCLBGWMLTLYKFPO-UHFFFAOYSA-N
XLogP1.46
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide (CID 136542154) is N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide is COc1ccc(OCCN(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is CLBGWMLTLYKFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16(15(18)17-8-10-20-11-9-17)7-12-21-14-5-3-13(19-2)4-6-14/h3-6H,7-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 136542154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).