2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide

C17H23N3O5 — CID 72918814

IUPAC2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1cc(CN(C)C(=O)CN2C(=O)CCNC2=O)ccc1OC
InChIInChI=1S/C17H23N3O5/c1-4-25-14-9-12(5-6-13(14)24-3)10-19(2)16(22)11-20-15(21)7-8-18-17(20)23/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,23)
InChIKeyGNKTUSAEJSVODJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.99
Rot. Bonds7

About 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide

2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 72918814) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID72918814
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1cc(CN(C)C(=O)CN2C(=O)CCNC2=O)ccc1OC
InChIInChI=1S/C17H23N3O5/c1-4-25-14-9-12(5-6-13(14)24-3)10-19(2)16(22)11-20-15(21)7-8-18-17(20)23/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,23)
InChIKeyGNKTUSAEJSVODJ-UHFFFAOYSA-N
XLogP0.99
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea
CID 119072115
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 55611938
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 126789862
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide (CID 72918814) is 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide is CCOc1cc(CN(C)C(=O)CN2C(=O)CCNC2=O)ccc1OC.
What is the InChIKey of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is GNKTUSAEJSVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-4-25-14-9-12(5-6-13(14)24-3)10-19(2)16(22)11-20-15(21)7-8-18-17(20)23/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,23).
What are the key properties of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide?
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 349.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 72918814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).