3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide

C14H22N2O3 — CID 106668386

IUPAC3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
SMILESCOC(C)(C)CCOCc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)7-8-19-10-11-5-4-6-12(9-11)13(17)16-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyCQPQMAJFSMXRNU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.62
Rot. Bonds7

About 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide

3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide (PubChem CID 106668386) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
PubChem CID106668386
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
SMILESCOC(C)(C)CCOCc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)7-8-19-10-11-5-4-6-12(9-11)13(17)16-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyCQPQMAJFSMXRNU-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
CID 157191874
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
CID 106667203
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
3-(cyanomethyl)benzohydrazide
CID 68715824
3-[(2-amino-2-methylpropoxy)methyl]benzoic acid
CID 82353223
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide (CID 106668386) is 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide is COC(C)(C)CCOCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide?
The InChIKey is CQPQMAJFSMXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,18-3)7-8-19-10-11-5-4-6-12(9-11)13(17)16-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide?
3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide has a molecular weight of 266.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide is sourced from PubChem (CID 106668386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).