3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide

C20H25N3O6 — CID 55844557

IUPAC3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C20H25N3O6/c1-26-8-9-29-19-7-4-14(12-22-19)11-21-18(24)13-23-20(25)15-5-6-16(27-2)17(10-15)28-3/h4-7,10,12H,8-9,11,13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyGDDSXTGMEXYCIX-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.17
Rot. Bonds11

About 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 55844557) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
PubChem CID55844557
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C20H25N3O6/c1-26-8-9-29-19-7-4-14(12-22-19)11-21-18(24)13-23-20(25)15-5-6-16(27-2)17(10-15)28-3/h4-7,10,12H,8-9,11,13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyGDDSXTGMEXYCIX-UHFFFAOYSA-N
XLogP1.17
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 55783641
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17441184
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide (CID 55844557) is 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide is COCCOc1ccc(CNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is GDDSXTGMEXYCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-26-8-9-29-19-7-4-14(12-22-19)11-21-18(24)13-23-20(25)15-5-6-16(27-2)17(10-15)28-3/h4-7,10,12H,8-9,11,13H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 1.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55844557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).