N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide

C15H20N2O4 — CID 2873188

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMMLAIVNEYNIVFO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.01
Rot. Bonds4

About N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide (PubChem CID 2873188) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
PubChem CID2873188
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMMLAIVNEYNIVFO-UHFFFAOYSA-N
XLogP1.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
N'-(2-naphthalen-1-yloxyacetyl)oxolane-2-carbohydrazide
CID 2870823
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3495457
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide (CID 2873188) is N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)C2CCCO2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide?
The InChIKey is MMLAIVNEYNIVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide has a molecular weight of 292.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 2873188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).