N'-butyl-N-heptanoylbenzohydrazide

C18H28N2O2 — CID 174288405

IUPACN'-butyl-N-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)N(NCCCC)C(=O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-11-14-17(21)20(19-15-6-4-2)18(22)16-12-9-8-10-13-16/h8-10,12-13,19H,3-7,11,14-15H2,1-2H3
InChIKeyXROSHATYQXCFMM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.93
Rot. Bonds10

About N'-butyl-N-heptanoylbenzohydrazide

N'-butyl-N-heptanoylbenzohydrazide (PubChem CID 174288405) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N'-butyl-N-heptanoylbenzohydrazide.

Molecular Properties

Compound NameN'-butyl-N-heptanoylbenzohydrazide
PubChem CID174288405
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN'-butyl-N-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)N(NCCCC)C(=O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-11-14-17(21)20(19-15-6-4-2)18(22)16-12-9-8-10-13-16/h8-10,12-13,19H,3-7,11,14-15H2,1-2H3
InChIKeyXROSHATYQXCFMM-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
CID 175112992
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
1-phenylheptadecan-1-one
CID 577626
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N-methyl-N-phenylnonanamide
CID 54136731
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
3-amino-1-(4-hydroxybenzoyl)-1-(octadecylamino)urea
CID 54113851
N-ethyl-N-phenyloctadecanamide
CID 151424183
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
3-(N-octanoylanilino)propanoic acid
CID 60831115
benzoic acid;octan-2-one
CID 174815510

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-heptanoylbenzohydrazide?
The IUPAC name of N'-butyl-N-heptanoylbenzohydrazide (CID 174288405) is N'-butyl-N-heptanoylbenzohydrazide.
What is the SMILES notation for N'-butyl-N-heptanoylbenzohydrazide?
The canonical SMILES for N'-butyl-N-heptanoylbenzohydrazide is CCCCCCC(=O)N(NCCCC)C(=O)c1ccccc1.
What is the InChIKey of N'-butyl-N-heptanoylbenzohydrazide?
The InChIKey is XROSHATYQXCFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-7-11-14-17(21)20(19-15-6-4-2)18(22)16-12-9-8-10-13-16/h8-10,12-13,19H,3-7,11,14-15H2,1-2H3.
What are the key properties of N'-butyl-N-heptanoylbenzohydrazide?
N'-butyl-N-heptanoylbenzohydrazide has a molecular weight of 304.43 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-heptanoylbenzohydrazide is sourced from PubChem (CID 174288405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).