N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide

C14H20N2O3 — CID 27169274

IUPACN'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)9-12(17)15-16-13(18)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyDWCVBFSAFKBSBS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds3

About N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide

N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide (PubChem CID 27169274) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
PubChem CID27169274
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)9-12(17)15-16-13(18)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyDWCVBFSAFKBSBS-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
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

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide (CID 27169274) is N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1.
What is the InChIKey of N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide?
The InChIKey is DWCVBFSAFKBSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)9-12(17)15-16-13(18)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide?
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide is sourced from PubChem (CID 27169274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).