N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide

C15H20N2O3 — CID 2677291

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-11(2)13(8-10)20-9-14(18)16-17-15(19)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPADYRKYZGFKFMT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.63
Rot. Bonds4

About N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide (PubChem CID 2677291) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide
PubChem CID2677291
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-11(2)13(8-10)20-9-14(18)16-17-15(19)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPADYRKYZGFKFMT-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.63
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

2-(3-Methylphenoxy)acetic acid hydrazide
CID 215800
2-(4-Methylphenoxy)acetohydrazide
CID 692242
2-(2-Methylphenoxy)acetohydrazide
CID 692247
N'-[2-(3,5-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 2861983
N'-formyl-2-(2-methylphenoxy)acetohydrazide
CID 3118470
2-[3-(Trifluoromethyl)phenoxy]acetohydrazide
CID 3757147
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
2-(3-methylphenoxy)-N'-(6-{2-[(3-methylphenoxy)acetyl]hydrazino}-6-oxohexanoyl)acetohydrazide
CID 4367965
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 708645
N'-[2-(4-methoxyphenoxy)acetyl]cyclobutanecarbohydrazide
CID 2418260

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide (CID 2677291) is N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCC2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The InChIKey is PADYRKYZGFKFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-7-11(2)13(8-10)20-9-14(18)16-17-15(19)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide is sourced from PubChem (CID 2677291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).