N-benzoylbenzohydrazide;2-nonylpropanedioic acid

C26H34N2O6 — CID 175262903

IUPACN-benzoylbenzohydrazide;2-nonylpropanedioic acid
SMILESCCCCCCCCCC(C(=O)O)C(=O)O.NN(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2.C12H22O4/c15-16(13(17)11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h1-10H,15H2;10H,2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyFWQGNFVOKFGBAL-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.76
Rot. Bonds12

About N-benzoylbenzohydrazide;2-nonylpropanedioic acid

N-benzoylbenzohydrazide;2-nonylpropanedioic acid (PubChem CID 175262903) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-benzoylbenzohydrazide;2-nonylpropanedioic acid.

Molecular Properties

Compound NameN-benzoylbenzohydrazide;2-nonylpropanedioic acid
PubChem CID175262903
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN-benzoylbenzohydrazide;2-nonylpropanedioic acid
SMILESCCCCCCCCCC(C(=O)O)C(=O)O.NN(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2.C12H22O4/c15-16(13(17)11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h1-10H,15H2;10H,2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyFWQGNFVOKFGBAL-UHFFFAOYSA-N
XLogP4.76
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzoylbenzohydrazide;2-nonylpropanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoyldodecanamide
CID 87280750
2-icosylpropanedioic acid
CID 11582738
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
N-(3,4-diaminodecyl)benzamide
CID 174528291
N-(1-chlorohexadecyl)-N-methylbenzamide
CID 174612781
2-pentyl-1-phenylheptan-1-one
CID 67882345
benzene-1,3-diol;bis(2-heptylpropanedioic acid)
CID 70630112
3-amino-1-phenyloctadecan-1-one
CID 54040118
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009

Frequently Asked Questions

What is the IUPAC name of N-benzoylbenzohydrazide;2-nonylpropanedioic acid?
The IUPAC name of N-benzoylbenzohydrazide;2-nonylpropanedioic acid (CID 175262903) is N-benzoylbenzohydrazide;2-nonylpropanedioic acid.
What is the SMILES notation for N-benzoylbenzohydrazide;2-nonylpropanedioic acid?
The canonical SMILES for N-benzoylbenzohydrazide;2-nonylpropanedioic acid is CCCCCCCCCC(C(=O)O)C(=O)O.NN(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzoylbenzohydrazide;2-nonylpropanedioic acid?
The InChIKey is FWQGNFVOKFGBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2.C12H22O4/c15-16(13(17)11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h1-10H,15H2;10H,2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-benzoylbenzohydrazide;2-nonylpropanedioic acid?
N-benzoylbenzohydrazide;2-nonylpropanedioic acid has a molecular weight of 470.57 g/mol, XLogP of 4.76, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoylbenzohydrazide;2-nonylpropanedioic acid is sourced from PubChem (CID 175262903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).