N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide

C16H24N2O4 — CID 119675375

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CNCCO2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-20-14-4-3-12(9-15(14)21-2)5-6-18-16(19)10-13-11-17-7-8-22-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyWXCQQWYEWGVGBZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.74
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide (PubChem CID 119675375) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
PubChem CID119675375
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CNCCO2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-20-14-4-3-12(9-15(14)21-2)5-6-18-16(19)10-13-11-17-7-8-22-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyWXCQQWYEWGVGBZ-UHFFFAOYSA-N
XLogP0.74
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide
CID 69348391
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
2-morpholin-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673762
2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237709
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66429390
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide (CID 119675375) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide is COc1ccc(CCNC(=O)CC2CNCCO2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide?
The InChIKey is WXCQQWYEWGVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-14-4-3-12(9-15(14)21-2)5-6-18-16(19)10-13-11-17-7-8-22-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 119675375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).