1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate

C20H22N2O6 — CID 158994697

IUPAC1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
SMILESCNC(=O)c1ccc(C(=O)NC)cc1.COC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H12N2O2.C10H10O4/c1-11-9(13)7-3-5-8(6-4-7)10(14)12-2;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3,(H,11,13)(H,12,14);3-6H,1-2H3
InChIKeyJQOZXBDFRACADS-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.67
Rot. Bonds4

About 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate

1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate (PubChem CID 158994697) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
PubChem CID158994697
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
SMILESCNC(=O)c1ccc(C(=O)NC)cc1.COC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H12N2O2.C10H10O4/c1-11-9(13)7-3-5-8(6-4-7)10(14)12-2;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3,(H,11,13)(H,12,14);3-6H,1-2H3
InChIKeyJQOZXBDFRACADS-UHFFFAOYSA-N
XLogP1.67
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
methyl 4-[(bromoamino)carbamoyl]benzoate
CID 174504364
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-methylbenzoate
CID 91113291
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-methylbenzoate
CID 7455
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate?
The IUPAC name of 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate (CID 158994697) is 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate?
The canonical SMILES for 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate is CNC(=O)c1ccc(C(=O)NC)cc1.COC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate?
The InChIKey is JQOZXBDFRACADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C10H10O4/c1-11-9(13)7-3-5-8(6-4-7)10(14)12-2;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3,(H,11,13)(H,12,14);3-6H,1-2H3.
What are the key properties of 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate?
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate has a molecular weight of 386.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 158994697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).