1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

C20H25N3O2 — CID 109045710

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-5-7-18(15)14-22-20(25)17-10-8-16(9-11-17)19(24)21-12-13-23(2)3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyIBCGRXQJOWOICD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.22
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109045710) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109045710
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-5-7-18(15)14-22-20(25)17-10-8-16(9-11-17)19(24)21-12-13-23(2)3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyIBCGRXQJOWOICD-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
CID 60964888
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109045710) is 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccc(C(=O)NCCN(C)C)cc1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is IBCGRXQJOWOICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-4-5-7-18(15)14-22-20(25)17-10-8-16(9-11-17)19(24)21-12-13-23(2)3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).