N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide

C16H24N2O4 — CID 108877135

IUPACN-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCOc1ccccc1OCNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O4/c1-4-20-14-7-5-6-8-15(14)21-11-17-16(19)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyNTEQKLMBVMXJFX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds5

About N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108877135) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108877135
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCOc1ccccc1OCNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O4/c1-4-20-14-7-5-6-8-15(14)21-11-17-16(19)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyNTEQKLMBVMXJFX-UHFFFAOYSA-N
XLogP2.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108878254
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
(Z)-2-(2,6-dimethylmorpholine-4-carbonyl)-3-(2-ethoxyanilino)prop-2-enenitrile
CID 108830836
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503965
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504049
(3aR,4R,7R,7aR)-N-[2-(2-ethoxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 98775483
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079
N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86979197

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108877135) is N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide is CCOc1ccccc1OCNC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is NTEQKLMBVMXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-20-14-7-5-6-8-15(14)21-11-17-16(19)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).