[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea

C16H24N4O4 — CID 4801112

IUPAC[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCCc1ccc(OCC(=O)NNC(=O)C(NC(N)=O)C(C)C)cc1
InChIInChI=1S/C16H24N4O4/c1-4-11-5-7-12(8-6-11)24-9-13(21)19-20-15(22)14(10(2)3)18-16(17)23/h5-8,10,14H,4,9H2,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyHNKUKCAIRHDCFO-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.47
Rot. Bonds7

About [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea

[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 4801112) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
PubChem CID4801112
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCCc1ccc(OCC(=O)NNC(=O)C(NC(N)=O)C(C)C)cc1
InChIInChI=1S/C16H24N4O4/c1-4-11-5-7-12(8-6-11)24-9-13(21)19-20-15(22)14(10(2)3)18-16(17)23/h5-8,10,14H,4,9H2,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyHNKUKCAIRHDCFO-UHFFFAOYSA-N
XLogP0.47
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9379100
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
CID 167987690
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea (CID 4801112) is [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea is CCc1ccc(OCC(=O)NNC(=O)C(NC(N)=O)C(C)C)cc1.
What is the InChIKey of [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is HNKUKCAIRHDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-11-5-7-12(8-6-11)24-9-13(21)19-20-15(22)14(10(2)3)18-16(17)23/h5-8,10,14H,4,9H2,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23).
What are the key properties of [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 336.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 4801112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).