N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide

C25H26N2O4 — CID 4956794

IUPACN'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-2-3-16-30-21-13-9-12-20(17-21)24(28)26-27-25(29)22-14-7-8-15-23(22)31-18-19-10-5-4-6-11-19/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyCVGMGRXHLRJLSG-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.52
Rot. Bonds9

About N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide

N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide (PubChem CID 4956794) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
PubChem CID4956794
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-2-3-16-30-21-13-9-12-20(17-21)24(28)26-27-25(29)22-14-7-8-15-23(22)31-18-19-10-5-4-6-11-19/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyCVGMGRXHLRJLSG-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
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
3-butoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957325
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700

Frequently Asked Questions

What is the IUPAC name of N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide (CID 4956794) is N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide is CCCCOc1cccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide?
The InChIKey is CVGMGRXHLRJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-3-16-30-21-13-9-12-20(17-21)24(28)26-27-25(29)22-14-7-8-15-23(22)31-18-19-10-5-4-6-11-19/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide?
N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide 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 N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4956794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).