N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide

C18H26N2O5 — CID 108959866

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5/c1-18(2,17(22)20-9-12-24-13-10-20)16(21)19-8-11-25-15-6-4-14(23-3)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyJTQBGHUVBNBTGO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide

N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108959866) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108959866
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O5/c1-18(2,17(22)20-9-12-24-13-10-20)16(21)19-8-11-25-15-6-4-14(23-3)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyJTQBGHUVBNBTGO-UHFFFAOYSA-N
XLogP1.08
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133327
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957060
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113197929
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965915
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913312
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide (CID 108959866) is N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide is COc1ccc(OCCNC(=O)C(C)(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is JTQBGHUVBNBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(2,17(22)20-9-12-24-13-10-20)16(21)19-8-11-25-15-6-4-14(23-3)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 350.42 g/mol, XLogP of 1.08, 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]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108959866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).