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

C19H22N2O3 — CID 8623835

IUPAC2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-12-15-8-10-16(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)
InChIKeyBNRVSJMIXJHKLM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.99
Rot. Bonds5

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

2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide (PubChem CID 8623835) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
PubChem CID8623835
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-12-15-8-10-16(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)
InChIKeyBNRVSJMIXJHKLM-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
CID 8623833
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8877793
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
methyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]oxymethyl]benzoate
CID 8848612
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide (CID 8623835) is 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide?
The InChIKey is BNRVSJMIXJHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)24-12-15-8-10-16(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-(propan-2-yloxymethyl)benzoyl]benzohydrazide?
2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 8623835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).