2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

C22H28N2O4 — CID 4942269

IUPAC2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-8-15-28-20-10-7-6-9-19(20)22(26)24-23-21(25)16-17-11-13-18(27-2)14-12-17/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCHUKMNMKVSPEEM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.66
Rot. Bonds10

About 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (PubChem CID 4942269) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
PubChem CID4942269
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-8-15-28-20-10-7-6-9-19(20)22(26)24-23-21(25)16-17-11-13-18(27-2)14-12-17/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCHUKMNMKVSPEEM-UHFFFAOYSA-N
XLogP3.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
2-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 17122844
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (CID 4942269) is 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is CCCCCCOc1ccccc1C(=O)NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The InChIKey is CHUKMNMKVSPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-4-5-8-15-28-20-10-7-6-9-19(20)22(26)24-23-21(25)16-17-11-13-18(27-2)14-12-17/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 4942269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).