N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide

C22H27N3O4 — CID 27672476

IUPACN-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)22(28)25-24-20(26)16-23-21(27)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyOXAMJHVRLWNLNP-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.84
Rot. Bonds10

About N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide

N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 27672476) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID27672476
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)22(28)25-24-20(26)16-23-21(27)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyOXAMJHVRLWNLNP-UHFFFAOYSA-N
XLogP2.84
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
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-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24540209

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 27672476) is N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide is CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is OXAMJHVRLWNLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)22(28)25-24-20(26)16-23-21(27)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 27672476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).