4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

C20H24N2O3 — CID 795496

IUPAC4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-7-15(8-10-16)19(24)22-21-18(23)13-14-5-11-17(25-4)12-6-14/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZCSLVKCEDLGNKV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds4

About 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (PubChem CID 795496) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
PubChem CID795496
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-7-15(8-10-16)19(24)22-21-18(23)13-14-5-11-17(25-4)12-6-14/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZCSLVKCEDLGNKV-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
CID 1011747
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (CID 795496) is 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The InChIKey is ZCSLVKCEDLGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-9-7-15(8-10-16)19(24)22-21-18(23)13-14-5-11-17(25-4)12-6-14/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 795496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).