N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide

C23H30N2O4 — CID 4935435

IUPACN'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-5-6-15-28-20-11-7-18(8-12-20)22(26)24-25-23(27)19-9-13-21(14-10-19)29-16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUVXGHESJLRMVFJ-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.37
Rot. Bonds10

About N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide

N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide (PubChem CID 4935435) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
PubChem CID4935435
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-4-5-6-15-28-20-11-7-18(8-12-20)22(26)24-25-23(27)19-9-13-21(14-10-19)29-16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUVXGHESJLRMVFJ-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'}

Analyze N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide?
The IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide (CID 4935435) is N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide.
What is the SMILES notation for N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide?
The canonical SMILES for N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide?
The InChIKey is UVXGHESJLRMVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-5-6-15-28-20-11-7-18(8-12-20)22(26)24-25-23(27)19-9-13-21(14-10-19)29-16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide?
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide 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 N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide is sourced from PubChem (CID 4935435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).