1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide

C12H17N3O2 — CID 171530653

IUPAC1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(NC)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O2/c1-13-10-6-5-8(11(16)14-2)7-9(10)12(17)15(3)4/h5-7,13H,1-4H3,(H,14,16)
InChIKeyGHKCXOJJPWGMLU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.79
Rot. Bonds3

About 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide

1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide (PubChem CID 171530653) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide
PubChem CID171530653
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(NC)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O2/c1-13-10-6-5-8(11(16)14-2)7-9(10)12(17)15(3)4/h5-7,13H,1-4H3,(H,14,16)
InChIKeyGHKCXOJJPWGMLU-UHFFFAOYSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
CID 141427341
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
N,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 67628394
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 154337110
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969756
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 91107211
potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide
CID 138375915
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 82992414
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide (CID 171530653) is 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide is CNC(=O)c1ccc(NC)c(C(=O)N(C)C)c1.
What is the InChIKey of 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide?
The InChIKey is GHKCXOJJPWGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-10-6-5-8(11(16)14-2)7-9(10)12(17)15(3)4/h5-7,13H,1-4H3,(H,14,16).
What are the key properties of 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide?
1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 171530653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).