N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide

C20H24N2O4 — CID 23276721

IUPACN'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22(21-18(23)14-9-7-6-8-10-14)19(24)15-11-12-16(25-4)17(13-15)26-5/h6-13H,1-5H3,(H,21,23)
InChIKeyVNKFMSFUSVBMSS-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.29
Rot. Bonds4

About N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide

N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide (PubChem CID 23276721) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
PubChem CID23276721
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22(21-18(23)14-9-7-6-8-10-14)19(24)15-11-12-16(25-4)17(13-15)26-5/h6-13H,1-5H3,(H,21,23)
InChIKeyVNKFMSFUSVBMSS-UHFFFAOYSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626
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N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
CID 88511289
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
3,4-dimethoxybenzoic acid;methanol
CID 144580050

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide (CID 23276721) is N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)cc1OC.
What is the InChIKey of N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide?
The InChIKey is VNKFMSFUSVBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)22(21-18(23)14-9-7-6-8-10-14)19(24)15-11-12-16(25-4)17(13-15)26-5/h6-13H,1-5H3,(H,21,23).
What are the key properties of N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide?
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 23276721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).