2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide

C29H26N2O4 — CID 4952061

IUPAC2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H26N2O4/c1-21(35-25-18-16-24(17-19-25)23-12-6-3-7-13-23)28(32)30-31-29(33)26-14-8-9-15-27(26)34-20-22-10-4-2-5-11-22/h2-19,21H,20H2,1H3,(H,30,32)(H,31,33)
InChIKeyXBOAUEDNSUJORA-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.16
Rot. Bonds8

About 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide

2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide (PubChem CID 4952061) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
PubChem CID4952061
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H26N2O4/c1-21(35-25-18-16-24(17-19-25)23-12-6-3-7-13-23)28(32)30-31-29(33)26-14-8-9-15-27(26)34-20-22-10-4-2-5-11-22/h2-19,21H,20H2,1H3,(H,30,32)(H,31,33)
InChIKeyXBOAUEDNSUJORA-UHFFFAOYSA-N
XLogP5.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.16
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

N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
CID 4953512
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
CID 17150849
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
CID 17169415
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide (CID 4952061) is 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide?
The InChIKey is XBOAUEDNSUJORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-21(35-25-18-16-24(17-19-25)23-12-6-3-7-13-23)28(32)30-31-29(33)26-14-8-9-15-27(26)34-20-22-10-4-2-5-11-22/h2-19,21H,20H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide?
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide has a molecular weight of 466.54 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4952061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).