N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide

C18H20N2O3 — CID 4503699

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-7-6-8-14(2)18(13)23-12-17(22)20-19-16(21)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRASJOPXANZSCCY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.07
Rot. Bonds5

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide (PubChem CID 4503699) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
PubChem CID4503699
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-7-6-8-14(2)18(13)23-12-17(22)20-19-16(21)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRASJOPXANZSCCY-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
CID 5141058
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide (CID 4503699) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The InChIKey is RASJOPXANZSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-6-8-14(2)18(13)23-12-17(22)20-19-16(21)11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 4503699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).