N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide

C23H30N2O2 — CID 67935788

IUPACN-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
SMILESCCCCN(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-6-7-15-25(22(27)19-10-8-9-17(2)16-19)24-21(26)18-11-13-20(14-12-18)23(3,4)5/h8-14,16H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyGQBAMIVBNBDPGY-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.88
Rot. Bonds5

About N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide

N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide (PubChem CID 67935788) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
PubChem CID67935788
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
SMILESCCCCN(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-6-7-15-25(22(27)19-10-8-9-17(2)16-19)24-21(26)18-11-13-20(14-12-18)23(3,4)5/h8-14,16H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyGQBAMIVBNBDPGY-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The IUPAC name of N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide (CID 67935788) is N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide.
What is the SMILES notation for N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The canonical SMILES for N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide is CCCCN(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The InChIKey is GQBAMIVBNBDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-7-15-25(22(27)19-10-8-9-17(2)16-19)24-21(26)18-11-13-20(14-12-18)23(3,4)5/h8-14,16H,6-7,15H2,1-5H3,(H,24,26).
What are the key properties of N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide has a molecular weight of 366.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide is sourced from PubChem (CID 67935788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).