[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea

C16H24N4O4 — CID 94496970

IUPAC[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(N)=O)cc1
InChIInChI=1S/C16H24N4O4/c1-2-3-4-5-10-24-13-8-6-12(7-9-13)15(22)20-19-14(21)11-18-16(17)23/h6-9H,2-5,10-11H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyLLUIMBKCRFHNGY-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.08
Rot. Bonds9

About [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea

[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea (PubChem CID 94496970) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
PubChem CID94496970
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(N)=O)cc1
InChIInChI=1S/C16H24N4O4/c1-2-3-4-5-10-24-13-8-6-12(7-9-13)15(22)20-19-14(21)11-18-16(17)23/h6-9H,2-5,10-11H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyLLUIMBKCRFHNGY-UHFFFAOYSA-N
XLogP1.08
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.08
H-Bond Donors ≤ 54
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-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24540209
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea (CID 94496970) is [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea is CCCCCCOc1ccc(C(=O)NNC(=O)CNC(N)=O)cc1.
What is the InChIKey of [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea?
The InChIKey is LLUIMBKCRFHNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-2-3-4-5-10-24-13-8-6-12(7-9-13)15(22)20-19-14(21)11-18-16(17)23/h6-9H,2-5,10-11H2,1H3,(H,19,21)(H,20,22)(H3,17,18,23).
What are the key properties of [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea?
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea has a molecular weight of 336.39 g/mol, XLogP of 1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 94496970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).