5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide

C20H27N3O2 — CID 171386674

IUPAC5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2cccc(CN(C)CCN(C)C)c2)cc1C(N)=O
InChIInChI=1S/C20H27N3O2/c1-22(2)10-11-23(3)14-15-6-5-7-16(12-15)17-8-9-19(25-4)18(13-17)20(21)24/h5-9,12-13H,10-11,14H2,1-4H3,(H2,21,24)
InChIKeyWBPYGLQQBCNKAV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.45
Rot. Bonds8

About 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide

5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide (PubChem CID 171386674) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide
PubChem CID171386674
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2cccc(CN(C)CCN(C)C)c2)cc1C(N)=O
InChIInChI=1S/C20H27N3O2/c1-22(2)10-11-23(3)14-15-6-5-7-16(12-15)17-8-9-19(25-4)18(13-17)20(21)24/h5-9,12-13H,10-11,14H2,1-4H3,(H2,21,24)
InChIKeyWBPYGLQQBCNKAV-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide (CID 171386674) is 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide is COc1ccc(-c2cccc(CN(C)CCN(C)C)c2)cc1C(N)=O.
What is the InChIKey of 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide?
The InChIKey is WBPYGLQQBCNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22(2)10-11-23(3)14-15-6-5-7-16(12-15)17-8-9-19(25-4)18(13-17)20(21)24/h5-9,12-13H,10-11,14H2,1-4H3,(H2,21,24).
What are the key properties of 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide?
5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide has a molecular weight of 341.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 171386674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).