N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide

C22H28N2O4 — CID 9276247

IUPACN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O4/c1-6-27-20-12-17(8-10-19(20)28-13-14(2)3)21(25)23-24-22(26)18-9-7-15(4)11-16(18)5/h7-12,14H,6,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyBAYGCJVSQXDERB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds7

About N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide

N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276247) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
PubChem CID9276247
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O4/c1-6-27-20-12-17(8-10-19(20)28-13-14(2)3)21(25)23-24-22(26)18-9-7-15(4)11-16(18)5/h7-12,14H,6,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyBAYGCJVSQXDERB-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 24538750
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
CID 9276291
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17050976
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264

Frequently Asked Questions

What is the IUPAC name of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide (CID 9276247) is N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)ccc1OCC(C)C.
What is the InChIKey of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is BAYGCJVSQXDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-27-20-12-17(8-10-19(20)28-13-14(2)3)21(25)23-24-22(26)18-9-7-15(4)11-16(18)5/h7-12,14H,6,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide?
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).