N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide

C15H20N2O3 — CID 47102488

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
SMILESCC(C)=CC(=O)NNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)5-14(18)16-17-15(19)9-20-13-7-11(3)6-12(4)8-13/h5-8H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIOXOQIQVVTYZHH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide (PubChem CID 47102488) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
PubChem CID47102488
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
SMILESCC(C)=CC(=O)NNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)5-14(18)16-17-15(19)9-20-13-7-11(3)6-12(4)8-13/h5-8H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIOXOQIQVVTYZHH-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 35801423
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
3-(1,3-benzodioxol-5-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 2788119
(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 19167688
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide
CID 4034087
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]octanamide
CID 4959024
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide (CID 47102488) is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide is CC(C)=CC(=O)NNC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide?
The InChIKey is IOXOQIQVVTYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)5-14(18)16-17-15(19)9-20-13-7-11(3)6-12(4)8-13/h5-8H,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide is sourced from PubChem (CID 47102488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).