2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide

C20H24N2O4 — CID 4943974

IUPAC2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
SMILESCC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-15(2)12-13-25-18-11-7-6-10-17(18)20(24)22-21-19(23)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXYNSBCWHQNXDDN-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.95
Rot. Bonds8

About 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide

2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide (PubChem CID 4943974) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
PubChem CID4943974
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
SMILESCC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-15(2)12-13-25-18-11-7-6-10-17(18)20(24)22-21-19(23)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXYNSBCWHQNXDDN-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.95
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'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
2-(3-methylbutoxy)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4944753
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954816
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide?
The IUPAC name of 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide (CID 4943974) is 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide.
What is the SMILES notation for 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide?
The canonical SMILES for 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide is CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1.
What is the InChIKey of 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide?
The InChIKey is XYNSBCWHQNXDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(2)12-13-25-18-11-7-6-10-17(18)20(24)22-21-19(23)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide?
2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide is sourced from PubChem (CID 4943974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).