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

C21H26N4O4 — CID 18158764

IUPAC[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)c1C
InChIInChI=1S/C21H26N4O4/c1-13-8-7-11-18(14(13)2)29-15(3)19(26)24-25-20(27)17(23-21(22)28)12-16-9-5-4-6-10-16/h4-11,15,17H,12H2,1-3H3,(H,24,26)(H,25,27)(H3,22,23,28)
InChIKeyFIZJOQOFNNLIFM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.50
Rot. Bonds7

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

[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 18158764) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID18158764
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)c1C
InChIInChI=1S/C21H26N4O4/c1-13-8-7-11-18(14(13)2)29-15(3)19(26)24-25-20(27)17(23-21(22)28)12-16-9-5-4-6-10-16/h4-11,15,17H,12H2,1-3H3,(H,24,26)(H,25,27)(H3,22,23,28)
InChIKeyFIZJOQOFNNLIFM-UHFFFAOYSA-N
XLogP1.50
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.50
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-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158789
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
CID 55862167

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (CID 18158764) is [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is Cc1cccc(OC(C)C(=O)NNC(=O)C(Cc2ccccc2)NC(N)=O)c1C.
What is the InChIKey of [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is FIZJOQOFNNLIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13-8-7-11-18(14(13)2)29-15(3)19(26)24-25-20(27)17(23-21(22)28)12-16-9-5-4-6-10-16/h4-11,15,17H,12H2,1-3H3,(H,24,26)(H,25,27)(H3,22,23,28).
What are the key properties of [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 398.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 18158764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).