N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide

C14H20N2O3 — CID 67921811

IUPACN'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)N(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-10(17)15-16(14(2,3)4)13(18)11-8-6-7-9-12(11)19-5/h6-9H,1-5H3,(H,15,17)
InChIKeyJXZYIXLRYLBXNS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds2

About N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide

N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide (PubChem CID 67921811) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
PubChem CID67921811
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)N(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-10(17)15-16(14(2,3)4)13(18)11-8-6-7-9-12(11)19-5/h6-9H,1-5H3,(H,15,17)
InChIKeyJXZYIXLRYLBXNS-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
CID 67922068
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide
CID 134102578
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
CID 178112451
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide?
The IUPAC name of N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide (CID 67921811) is N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide.
What is the SMILES notation for N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide?
The canonical SMILES for N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide is COc1ccccc1C(=O)N(NC(C)=O)C(C)(C)C.
What is the InChIKey of N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide?
The InChIKey is JXZYIXLRYLBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)15-16(14(2,3)4)13(18)11-8-6-7-9-12(11)19-5/h6-9H,1-5H3,(H,15,17).
What are the key properties of N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide?
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide is sourced from PubChem (CID 67921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).