N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide

C24H32N2O4 — CID 4950737

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C24H32N2O4/c1-4-5-6-7-8-16-29-21-14-12-20(13-15-21)24(28)26-25-22(27)17-30-23-18(2)10-9-11-19(23)3/h9-15H,4-8,16-17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeySXGWUPBAUHDSGL-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.49
Rot. Bonds11

About N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide (PubChem CID 4950737) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
PubChem CID4950737
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C24H32N2O4/c1-4-5-6-7-8-16-29-21-14-12-20(13-15-21)24(28)26-25-22(27)17-30-23-18(2)10-9-11-19(23)3/h9-15H,4-8,16-17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeySXGWUPBAUHDSGL-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.49
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-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide
CID 17344054

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide (CID 4950737) is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide is CCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide?
The InChIKey is SXGWUPBAUHDSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-5-6-7-8-16-29-21-14-12-20(13-15-21)24(28)26-25-22(27)17-30-23-18(2)10-9-11-19(23)3/h9-15H,4-8,16-17H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide has a molecular weight of 412.53 g/mol, XLogP of 4.49, 11 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]-4-heptoxybenzohydrazide is sourced from PubChem (CID 4950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).