2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide

C17H19N3O2 — CID 67802565

IUPAC2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
SMILESCN(C)Cc1cccc(-c2cc(C(N)=O)ccc2C(N)=O)c1
InChIInChI=1S/C17H19N3O2/c1-20(2)10-11-4-3-5-12(8-11)15-9-13(16(18)21)6-7-14(15)17(19)22/h3-9H,10H2,1-2H3,(H2,18,21)(H2,19,22)
InChIKeyPXQKLRPBVIQLRX-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide

2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide (PubChem CID 67802565) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
PubChem CID67802565
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
SMILESCN(C)Cc1cccc(-c2cc(C(N)=O)ccc2C(N)=O)c1
InChIInChI=1S/C17H19N3O2/c1-20(2)10-11-4-3-5-12(8-11)15-9-13(16(18)21)6-7-14(15)17(19)22/h3-9H,10H2,1-2H3,(H2,18,21)(H2,19,22)
InChIKeyPXQKLRPBVIQLRX-UHFFFAOYSA-N
XLogP1.61
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[3-[(dimethylamino)methyl]phenyl]-4-methoxybenzoic acid
CID 82039455
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
4-(3-ethylphenyl)benzamide
CID 54454087
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide
CID 171386674
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
3-[(dipropylamino)methyl]benzamide
CID 82041313
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide (CID 67802565) is 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide is CN(C)Cc1cccc(-c2cc(C(N)=O)ccc2C(N)=O)c1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is PXQKLRPBVIQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20(2)10-11-4-3-5-12(8-11)15-9-13(16(18)21)6-7-14(15)17(19)22/h3-9H,10H2,1-2H3,(H2,18,21)(H2,19,22).
What are the key properties of 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide?
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 67802565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).