benzene-1,4-dicarboxamide;undecanamide

C19H31N3O3 — CID 175165478

IUPACbenzene-1,4-dicarboxamide;undecanamide
SMILESCCCCCCCCCCC(N)=O.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H23NO.C8H8N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;9-7(11)5-1-2-6(4-3-5)8(10)12/h2-10H2,1H3,(H2,12,13);1-4H,(H2,9,11)(H2,10,12)
InChIKeyLAGQHNAGELXUCB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.89
Rot. Bonds11

About benzene-1,4-dicarboxamide;undecanamide

benzene-1,4-dicarboxamide;undecanamide (PubChem CID 175165478) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is benzene-1,4-dicarboxamide;undecanamide.

Molecular Properties

Compound Namebenzene-1,4-dicarboxamide;undecanamide
PubChem CID175165478
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Namebenzene-1,4-dicarboxamide;undecanamide
SMILESCCCCCCCCCCC(N)=O.NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H23NO.C8H8N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;9-7(11)5-1-2-6(4-3-5)8(10)12/h2-10H2,1H3,(H2,12,13);1-4H,(H2,9,11)(H2,10,12)
InChIKeyLAGQHNAGELXUCB-UHFFFAOYSA-N
XLogP2.89
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.89
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

tetradecanamide
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nonacosanamide
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octadecanamide;hydrochloride
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octadecanamide;zinc
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butane;octanamide
CID 87511414
benzamide;hexanoic acid
CID 19438402
4-octylbenzamide;hydrochloride
CID 131740255
benzene-1,3,5-tricarboxylic acid;tris(heptanamide)
CID 67992233
benzene-1,3,5-tricarboxylic acid;tris(octanamide)
CID 67992226
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarboxamide;undecanamide?
The IUPAC name of benzene-1,4-dicarboxamide;undecanamide (CID 175165478) is benzene-1,4-dicarboxamide;undecanamide.
What is the SMILES notation for benzene-1,4-dicarboxamide;undecanamide?
The canonical SMILES for benzene-1,4-dicarboxamide;undecanamide is CCCCCCCCCCC(N)=O.NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of benzene-1,4-dicarboxamide;undecanamide?
The InChIKey is LAGQHNAGELXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C8H8N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;9-7(11)5-1-2-6(4-3-5)8(10)12/h2-10H2,1H3,(H2,12,13);1-4H,(H2,9,11)(H2,10,12).
What are the key properties of benzene-1,4-dicarboxamide;undecanamide?
benzene-1,4-dicarboxamide;undecanamide has a molecular weight of 349.48 g/mol, XLogP of 2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarboxamide;undecanamide is sourced from PubChem (CID 175165478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).