N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide

C17H19N3O3 — CID 54793156

IUPACN-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2)c1
InChIInChI=1S/C17H19N3O3/c1-11-3-4-12(2)15(9-11)19-16(21)10-23-14-7-5-13(6-8-14)17(22)20-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJTXDTUKJCBPPG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.92
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide

N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide (PubChem CID 54793156) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
PubChem CID54793156
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2)c1
InChIInChI=1S/C17H19N3O3/c1-11-3-4-12(2)15(9-11)19-16(21)10-23-14-7-5-13(6-8-14)17(22)20-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJTXDTUKJCBPPG-UHFFFAOYSA-N
XLogP1.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678370
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(3,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793228
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3900181
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917451
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9085515

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide (CID 54793156) is N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide is Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)NN)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide?
The InChIKey is XJTXDTUKJCBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-3-4-12(2)15(9-11)19-16(21)10-23-14-7-5-13(6-8-14)17(22)20-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide is sourced from PubChem (CID 54793156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).