2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide

C25H26N2O4 — CID 4941310

IUPAC2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-2-3-17-30-22-15-9-7-13-20(22)24(28)26-27-25(29)21-14-8-10-16-23(21)31-18-19-11-5-4-6-12-19/h4-16H,2-3,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyLZTSMKKFDUDWPE-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.52
Rot. Bonds9

About 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide

2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide (PubChem CID 4941310) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
PubChem CID4941310
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-2-3-17-30-22-15-9-7-13-20(22)24(28)26-27-25(29)21-14-8-10-16-23(21)31-18-19-11-5-4-6-12-19/h4-16H,2-3,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyLZTSMKKFDUDWPE-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4956794
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17356241
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The IUPAC name of 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide (CID 4941310) is 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide is CCCCOc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The InChIKey is LZTSMKKFDUDWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-3-17-30-22-15-9-7-13-20(22)24(28)26-27-25(29)21-14-8-10-16-23(21)31-18-19-11-5-4-6-12-19/h4-16H,2-3,17-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide has a molecular weight of 418.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).