3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

C21H26N2O4 — CID 4981813

IUPAC3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)11-12-26-18-9-6-8-17(13-18)21(25)23-22-20(24)14-27-19-10-5-4-7-16(19)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMGQSUOVMOWETCU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.26
Rot. Bonds8

About 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 4981813) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
PubChem CID4981813
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)11-12-26-18-9-6-8-17(13-18)21(25)23-22-20(24)14-27-19-10-5-4-7-16(19)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMGQSUOVMOWETCU-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.26
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'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
CID 4981787
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
3-bromo-4-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17339504
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140749
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982119
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (CID 4981813) is 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is MGQSUOVMOWETCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)11-12-26-18-9-6-8-17(13-18)21(25)23-22-20(24)14-27-19-10-5-4-7-16(19)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).