5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide

C12H16N4O3 — CID 61273837

IUPAC5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
SMILESNCCCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C12H16N4O3/c13-3-1-2-10(17)16-9-5-7(11(14)18)4-8(6-9)12(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyZBYRFMFPGKXWDE-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.44
Rot. Bonds6

About 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide

5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide (PubChem CID 61273837) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
PubChem CID61273837
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
SMILESNCCCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C12H16N4O3/c13-3-1-2-10(17)16-9-5-7(11(14)18)4-8(6-9)12(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyZBYRFMFPGKXWDE-UHFFFAOYSA-N
XLogP-0.44
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
4-(6-aminohexanoylamino)benzamide
CID 24702559
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
N'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide (CID 61273837) is 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide is NCCCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide?
The InChIKey is ZBYRFMFPGKXWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-3-1-2-10(17)16-9-5-7(11(14)18)4-8(6-9)12(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,17).
What are the key properties of 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide?
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide has a molecular weight of 264.29 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 61273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).