N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide

C20H24N2O4 — CID 8639762

IUPACN'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-8-6-13(7-9-14)18(23)21-22-19(24)16-12-15(25-4)10-11-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyUXQUENAZQLYCTN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.08
Rot. Bonds4

About N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide

N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide (PubChem CID 8639762) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
PubChem CID8639762
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-8-6-13(7-9-14)18(23)21-22-19(24)16-12-15(25-4)10-11-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyUXQUENAZQLYCTN-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.08
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'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4822570
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide
CID 5004887
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
(E)-1-(4-tert-butylphenyl)-3-(2,5-dimethoxyanilino)prop-2-en-1-one
CID 139030217

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide (CID 8639762) is N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide is COc1ccc(OC)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide?
The InChIKey is UXQUENAZQLYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)14-8-6-13(7-9-14)18(23)21-22-19(24)16-12-15(25-4)10-11-17(16)26-5/h6-12H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide?
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide is sourced from PubChem (CID 8639762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).