benzene-1,3-dicarboxamide;hexanedioic acid

C14H18N2O6 — CID 175137558

IUPACbenzene-1,3-dicarboxamide;hexanedioic acid
SMILESNC(=O)c1cccc(C(N)=O)c1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C8H8N2O2.C6H10O4/c9-7(11)5-2-1-3-6(4-5)8(10)12;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,9,11)(H2,10,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyPNZJMJIDCMQKDO-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.60
Rot. Bonds7

About benzene-1,3-dicarboxamide;hexanedioic acid

benzene-1,3-dicarboxamide;hexanedioic acid (PubChem CID 175137558) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is benzene-1,3-dicarboxamide;hexanedioic acid.

Molecular Properties

Compound Namebenzene-1,3-dicarboxamide;hexanedioic acid
PubChem CID175137558
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Namebenzene-1,3-dicarboxamide;hexanedioic acid
SMILESNC(=O)c1cccc(C(N)=O)c1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C8H8N2O2.C6H10O4/c9-7(11)5-2-1-3-6(4-5)8(10)12;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,9,11)(H2,10,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyPNZJMJIDCMQKDO-UHFFFAOYSA-N
XLogP0.60
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzamide;hexanoic acid
CID 19438402
3-carbamoylbenzoic acid
CID 3014284
benzene-1,3-dicarboxylic acid;hexanedioic acid;hexane-1,6-diol
CID 67386946
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
CID 61006679
nonanedioic acid;bis(pyridine-4-carboxamide)
CID 139205511
bis(decanedioic acid);tetrakis(4-methylbenzamide)
CID 139195155
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-(azepane-1-carbonyl)benzamide;hexanediamide
CID 66769264
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
19-[3-[10-(3-nonanoylphenyl)-10-oxodecanoyl]phenyl]-10,19-dioxononadecanoic acid
CID 160612211
benzene-1,3-dicarboxamide;(2S)-2,6-diaminohexanoic acid
CID 67324648

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxamide;hexanedioic acid?
The IUPAC name of benzene-1,3-dicarboxamide;hexanedioic acid (CID 175137558) is benzene-1,3-dicarboxamide;hexanedioic acid.
What is the SMILES notation for benzene-1,3-dicarboxamide;hexanedioic acid?
The canonical SMILES for benzene-1,3-dicarboxamide;hexanedioic acid is NC(=O)c1cccc(C(N)=O)c1.O=C(O)CCCCC(=O)O.
What is the InChIKey of benzene-1,3-dicarboxamide;hexanedioic acid?
The InChIKey is PNZJMJIDCMQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C6H10O4/c9-7(11)5-2-1-3-6(4-5)8(10)12;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,9,11)(H2,10,12);1-4H2,(H,7,8)(H,9,10).
What are the key properties of benzene-1,3-dicarboxamide;hexanedioic acid?
benzene-1,3-dicarboxamide;hexanedioic acid has a molecular weight of 310.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxamide;hexanedioic acid is sourced from PubChem (CID 175137558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).