1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide

C12H16N2O2 — CID 69320035

IUPAC1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C12H16N2O2/c1-3-7-14-12(16)10-6-4-5-9(8-10)11(15)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKWJLTKUKHDCRQT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.19
Rot. Bonds4

About 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide

1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide (PubChem CID 69320035) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
PubChem CID69320035
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C12H16N2O2/c1-3-7-14-12(16)10-6-4-5-9(8-10)11(15)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKWJLTKUKHDCRQT-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide (CID 69320035) is 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NC)c1.
What is the InChIKey of 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is KWJLTKUKHDCRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-7-14-12(16)10-6-4-5-9(8-10)11(15)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide?
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 69320035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).