4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide

C24H32N2O4 — CID 4930869

IUPAC4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-6-7-8-16-29-20-14-12-19(13-15-20)23(27)25-26-24(28)22(5-2)30-21-11-9-10-18(3)17-21/h9-15,17,22H,4-8,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOQZBCXZVXXXQTE-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.57
Rot. Bonds11

About 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide

4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4930869) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4930869
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-6-7-8-16-29-20-14-12-19(13-15-20)23(27)25-26-24(28)22(5-2)30-21-11-9-10-18(3)17-21/h9-15,17,22H,4-8,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOQZBCXZVXXXQTE-UHFFFAOYSA-N
XLogP4.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.57
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

4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 4951568
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678
N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4928819
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-hexoxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4934547
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (CID 4930869) is 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1.
What is the InChIKey of 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is OQZBCXZVXXXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-6-7-8-16-29-20-14-12-19(13-15-20)23(27)25-26-24(28)22(5-2)30-21-11-9-10-18(3)17-21/h9-15,17,22H,4-8,16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 412.53 g/mol, XLogP of 4.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4930869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).