4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

C23H30N2O4 — CID 4936465

IUPAC4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-5-15-28-20-10-6-18(7-11-20)22(26)24-25-23(27)19-8-12-21(13-9-19)29-16-14-17(2)3/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPMDDALZHJDBDEI-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.37
Rot. Bonds10

About 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (PubChem CID 4936465) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
PubChem CID4936465
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-5-15-28-20-10-6-18(7-11-20)22(26)24-25-23(27)19-8-12-21(13-9-19)29-16-14-17(2)3/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPMDDALZHJDBDEI-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.37
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'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-heptoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4951117
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (CID 4936465) is 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The InChIKey is PMDDALZHJDBDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-5-15-28-20-10-6-18(7-11-20)22(26)24-25-23(27)19-8-12-21(13-9-19)29-16-14-17(2)3/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide has a molecular weight of 398.50 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4936465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).