N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide

C21H26N2O4 — CID 4955613

IUPACN'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-2-3-5-14-20(24)22-23-21(25)18-12-8-9-13-19(18)27-16-15-26-17-10-6-4-7-11-17/h4,6-13H,2-3,5,14-16H2,1H3,(H,22,24)(H,23,25)
InChIKeySUYJPDGVGDRSPX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds10

About N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide

N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4955613) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
PubChem CID4955613
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-2-3-5-14-20(24)22-23-21(25)18-12-8-9-13-19(18)27-16-15-26-17-10-6-4-7-11-17/h4,6-13H,2-3,5,14-16H2,1H3,(H,22,24)(H,23,25)
InChIKeySUYJPDGVGDRSPX-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.49
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'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913

Frequently Asked Questions

What is the IUPAC name of N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide (CID 4955613) is N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide is CCCCCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is SUYJPDGVGDRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-2-3-5-14-20(24)22-23-21(25)18-12-8-9-13-19(18)27-16-15-26-17-10-6-4-7-11-17/h4,6-13H,2-3,5,14-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide?
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4955613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).