hexanamide;phthalic acid

C14H19NO5 — CID 159778698

IUPAChexanamide;phthalic acid
SMILESCCCCCC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H13NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4-5-6(7)8/h1-4H,(H,9,10)(H,11,12);2-5H2,1H3,(H2,7,8)
InChIKeyNHBSPNNJJWZLCK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.13
Rot. Bonds6

About hexanamide;phthalic acid

hexanamide;phthalic acid (PubChem CID 159778698) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is hexanamide;phthalic acid.

Molecular Properties

Compound Namehexanamide;phthalic acid
PubChem CID159778698
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namehexanamide;phthalic acid
SMILESCCCCCC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H13NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4-5-6(7)8/h1-4H,(H,9,10)(H,11,12);2-5H2,1H3,(H2,7,8)
InChIKeyNHBSPNNJJWZLCK-UHFFFAOYSA-N
XLogP2.13
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decane;phthalic acid
CID 158763790
2-(2-oxotetradecanoyl)benzoic acid
CID 139595618
3-hydroxynaphthalene-2-carboxylic acid;octanamide
CID 22901759
benzene-1,3,5-tricarboxylic acid;tris(hexanamide)
CID 67992130
docosane;2-hydroxybenzoic acid
CID 161423500
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
2-aminoacetic acid;1-chloropentane;phthalic acid
CID 175042010
dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161
benzene-1,3,5-tricarboxylic acid;tris(heptanamide)
CID 67992233
benzene-1,3,5-tricarboxylic acid;tris(octanamide)
CID 67992226
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of hexanamide;phthalic acid?
The IUPAC name of hexanamide;phthalic acid (CID 159778698) is hexanamide;phthalic acid.
What is the SMILES notation for hexanamide;phthalic acid?
The canonical SMILES for hexanamide;phthalic acid is CCCCCC(N)=O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of hexanamide;phthalic acid?
The InChIKey is NHBSPNNJJWZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H13NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4-5-6(7)8/h1-4H,(H,9,10)(H,11,12);2-5H2,1H3,(H2,7,8).
What are the key properties of hexanamide;phthalic acid?
hexanamide;phthalic acid has a molecular weight of 281.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexanamide;phthalic acid is sourced from PubChem (CID 159778698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).