2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide

C19H22N2O2 — CID 8623833

IUPAC2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)12-15-8-10-16(11-9-15)18(22)20-21-19(23)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGOPXIHWYRPAVPT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide

2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide (PubChem CID 8623833) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
PubChem CID8623833
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)12-15-8-10-16(11-9-15)18(22)20-21-19(23)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGOPXIHWYRPAVPT-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
CID 8623835
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
CID 8956768
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide (CID 8623833) is 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide?
The InChIKey is GOPXIHWYRPAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)12-15-8-10-16(11-9-15)18(22)20-21-19(23)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide?
2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide is sourced from PubChem (CID 8623833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).