N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C18H24N2O5 — CID 109133327

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-23-13-2-4-14(5-3-13)25-9-6-19-17(21)15-12-16(15)18(22)20-7-10-24-11-8-20/h2-5,15-16H,6-12H2,1H3,(H,19,21)
InChIKeyXEIMLLRVJRUAOA-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.69
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109133327) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID109133327
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-23-13-2-4-14(5-3-13)25-9-6-19-17(21)15-12-16(15)18(22)20-7-10-24-11-8-20/h2-5,15-16H,6-12H2,1H3,(H,19,21)
InChIKeyXEIMLLRVJRUAOA-UHFFFAOYSA-N
XLogP0.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
1-acetyl-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 9534152
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-(2-phenoxyethyl)cyclopropanecarboxamide
CID 5296031
N-[2-(4-Phenoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 14099779
N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 24791533
1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24818924
1-acetyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9267234
US10166214, Example 41
CID 86294066
N-[2-(4-methoxyphenoxy)ethyl]nonanamide
CID 4066860
N-methyl-1-[3-(4-morpholinyl)propyl]-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24790200
N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 24790501
6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24793100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 109133327) is N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is COc1ccc(OCCNC(=O)C2CC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is XEIMLLRVJRUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-13-2-4-14(5-3-13)25-9-6-19-17(21)15-12-16(15)18(22)20-7-10-24-11-8-20/h2-5,15-16H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).