[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

C20H24N4O4 — CID 18158810

IUPAC[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C20H24N4O4/c1-13-7-6-8-14(2)18(13)28-12-17(25)23-24-19(26)16(22-20(21)27)11-15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3,(H,23,25)(H,24,26)(H3,21,22,27)
InChIKeyVVICMWJPQYMATQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.11
Rot. Bonds7

About [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 18158810) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID18158810
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C20H24N4O4/c1-13-7-6-8-14(2)18(13)28-12-17(25)23-24-19(26)16(22-20(21)27)11-15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3,(H,23,25)(H,24,26)(H3,21,22,27)
InChIKeyVVICMWJPQYMATQ-UHFFFAOYSA-N
XLogP1.11
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158789
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
(3-methylphenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8895454
N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 155036707
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (CID 18158810) is [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is Cc1cccc(C)c1OCC(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O.
What is the InChIKey of [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is VVICMWJPQYMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13-7-6-8-14(2)18(13)28-12-17(25)23-24-19(26)16(22-20(21)27)11-15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3,(H,23,25)(H,24,26)(H3,21,22,27).
What are the key properties of [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 384.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 18158810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).