3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide

C22H28N2O4 — CID 54782152

IUPAC3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14(2)12-16-6-8-17(9-7-16)15(3)21(25)23-24-22(26)18-10-11-19(27-4)20(13-18)28-5/h6-11,13-15H,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRCGCVMBWZSRTQQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds7

About 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide

3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide (PubChem CID 54782152) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
PubChem CID54782152
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14(2)12-16-6-8-17(9-7-16)15(3)21(25)23-24-22(26)18-10-11-19(27-4)20(13-18)28-5/h6-11,13-15H,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRCGCVMBWZSRTQQ-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide 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'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782195
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
CID 54782181
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 21262997
methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 2827389
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide (CID 54782152) is 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide?
The InChIKey is RCGCVMBWZSRTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)12-16-6-8-17(9-7-16)15(3)21(25)23-24-22(26)18-10-11-19(27-4)20(13-18)28-5/h6-11,13-15H,12H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide?
3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide is sourced from PubChem (CID 54782152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).