5-acetyl-3-N-propylbenzene-1,3-dicarboxamide

C13H16N2O3 — CID 126540698

IUPAC5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cc(C(C)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H16N2O3/c1-3-4-15-13(18)11-6-9(8(2)16)5-10(7-11)12(14)17/h5-7H,3-4H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYBWSRWMVBHONGL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.13
Rot. Bonds5

About 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide

5-acetyl-3-N-propylbenzene-1,3-dicarboxamide (PubChem CID 126540698) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
PubChem CID126540698
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cc(C(C)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H16N2O3/c1-3-4-15-13(18)11-6-9(8(2)16)5-10(7-11)12(14)17/h5-7H,3-4H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYBWSRWMVBHONGL-UHFFFAOYSA-N
XLogP1.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diamino-N-propylbenzamide
CID 20701636
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
1-N,3-N,3-N-tris-decylbenzene-1,3,5-tricarboxamide
CID 121284589
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 91500084
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3,5-dichloro-N-propylbenzamide
CID 2767298
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide (CID 126540698) is 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cc(C(C)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is YBWSRWMVBHONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-4-15-13(18)11-6-9(8(2)16)5-10(7-11)12(14)17/h5-7H,3-4H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide?
5-acetyl-3-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 126540698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).