N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide

C22H28N2O4 — CID 4981787

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)11-12-27-19-10-6-9-18(13-19)22(26)24-23-20(25)14-28-21-16(3)7-5-8-17(21)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyIDMBPUXQSDQIGJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.57
Rot. Bonds8

About N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide (PubChem CID 4981787) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
PubChem CID4981787
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)11-12-27-19-10-6-9-18(13-19)22(26)24-23-20(25)14-28-21-16(3)7-5-8-17(21)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyIDMBPUXQSDQIGJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.57
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

3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982119
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982146
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide (CID 4981787) is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide?
The InChIKey is IDMBPUXQSDQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)11-12-27-19-10-6-9-18(13-19)22(26)24-23-20(25)14-28-21-16(3)7-5-8-17(21)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 4981787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).