N'-benzoyl-N-butyl-4-formylbenzohydrazide

C19H20N2O3 — CID 154230416

IUPACN'-benzoyl-N-butyl-4-formylbenzohydrazide
SMILESCCCCN(NC(=O)c1ccccc1)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-13-21(20-18(23)16-7-5-4-6-8-16)19(24)17-11-9-15(14-22)10-12-17/h4-12,14H,2-3,13H2,1H3,(H,20,23)
InChIKeyMOADUGRNLFKZDX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds6

About N'-benzoyl-N-butyl-4-formylbenzohydrazide

N'-benzoyl-N-butyl-4-formylbenzohydrazide (PubChem CID 154230416) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N'-benzoyl-N-butyl-4-formylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-butyl-4-formylbenzohydrazide
PubChem CID154230416
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN'-benzoyl-N-butyl-4-formylbenzohydrazide
SMILESCCCCN(NC(=O)c1ccccc1)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-13-21(20-18(23)16-7-5-4-6-8-16)19(24)17-11-9-15(14-22)10-12-17/h4-12,14H,2-3,13H2,1H3,(H,20,23)
InChIKeyMOADUGRNLFKZDX-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 67935788
N-butyl-4-formylbenzamide
CID 118474745
4-hydroxy-N'-(4-hydroxybenzoyl)-N'-propylbenzohydrazide
CID 176768221
N'-acetyl-4-formyl-N'-phenylbenzohydrazide
CID 166611175
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
N-butyl-N'-(4-butylbenzoyl)-3,4-dichlorobenzohydrazide
CID 67935907
N-butyl-N'-(4-tert-butylbenzoyl)-2-nitrobenzohydrazide
CID 67935756
N-butyl-N-[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 58390901
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-butyl-4-formylbenzohydrazide?
The IUPAC name of N'-benzoyl-N-butyl-4-formylbenzohydrazide (CID 154230416) is N'-benzoyl-N-butyl-4-formylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-butyl-4-formylbenzohydrazide?
The canonical SMILES for N'-benzoyl-N-butyl-4-formylbenzohydrazide is CCCCN(NC(=O)c1ccccc1)C(=O)c1ccc(C=O)cc1.
What is the InChIKey of N'-benzoyl-N-butyl-4-formylbenzohydrazide?
The InChIKey is MOADUGRNLFKZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-13-21(20-18(23)16-7-5-4-6-8-16)19(24)17-11-9-15(14-22)10-12-17/h4-12,14H,2-3,13H2,1H3,(H,20,23).
What are the key properties of N'-benzoyl-N-butyl-4-formylbenzohydrazide?
N'-benzoyl-N-butyl-4-formylbenzohydrazide has a molecular weight of 324.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-butyl-4-formylbenzohydrazide is sourced from PubChem (CID 154230416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).