4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide

C20H28N4O5 — CID 46437778

IUPAC4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)cc1OC
InChIInChI=1S/C20H28N4O5/c1-5-6-11-28-15-8-7-14(12-16(15)27-4)20(26)23-22-17(25)9-10-18-21-19(13(2)3)24-29-18/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyJGVVTVXWBSHJKC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.77
Rot. Bonds10

About 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide

4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (PubChem CID 46437778) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
PubChem CID46437778
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)cc1OC
InChIInChI=1S/C20H28N4O5/c1-5-6-11-28-15-8-7-14(12-16(15)27-4)20(26)23-22-17(25)9-10-18-21-19(13(2)3)24-29-18/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyJGVVTVXWBSHJKC-UHFFFAOYSA-N
XLogP2.77
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 35694034
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CID 36758356
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 31724259
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 25442490
4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
CID 24531696
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (CID 46437778) is 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The InChIKey is JGVVTVXWBSHJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-5-6-11-28-15-8-7-14(12-16(15)27-4)20(26)23-22-17(25)9-10-18-21-19(13(2)3)24-29-18/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide has a molecular weight of 404.47 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 46437778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).