3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide

C13H19N3O2 — CID 119504359

IUPAC3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCNCCNC(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-14-7-8-15-12(17)10-5-4-6-11(9-10)13(18)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyXOCMPZGGYQKQBP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.34
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide

3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 119504359) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID119504359
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCNCCNC(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-14-7-8-15-12(17)10-5-4-6-11(9-10)13(18)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyXOCMPZGGYQKQBP-UHFFFAOYSA-N
XLogP0.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-(dimethylcarbamoyl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 120526442
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide (CID 119504359) is 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide is CNCCNC(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is XOCMPZGGYQKQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-7-8-15-12(17)10-5-4-6-11(9-10)13(18)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide?
3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 119504359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).