2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide

C25H26N2O4 — CID 4945737

IUPAC2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18(2)16-31-23-11-7-6-10-22(23)25(29)27-26-24(28)20-12-14-21(15-13-20)30-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNFJLONNQQCOGPZ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.38
Rot. Bonds8

About 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide

2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide (PubChem CID 4945737) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
PubChem CID4945737
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18(2)16-31-23-11-7-6-10-22(23)25(29)27-26-24(28)20-12-14-21(15-13-20)30-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNFJLONNQQCOGPZ-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
CID 102166261
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
2-(2-methylpropoxy)-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 4946257
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
2-(2-phenoxyethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4954822

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide?
The IUPAC name of 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide (CID 4945737) is 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide is CC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide?
The InChIKey is NFJLONNQQCOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(2)16-31-23-11-7-6-10-22(23)25(29)27-26-24(28)20-12-14-21(15-13-20)30-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide?
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide has a molecular weight of 418.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).