hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate

C14H22N2O3 — CID 66336904

IUPAChydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
SMILESCCC(C)(C)c1ccc(OCCC(=O)ONN)cc1
InChIInChI=1S/C14H22N2O3/c1-4-14(2,3)11-5-7-12(8-6-11)18-10-9-13(17)19-16-15/h5-8,16H,4,9-10,15H2,1-3H3
InChIKeyRZFGKNIXGNZSLE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds7

About hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate

hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate (PubChem CID 66336904) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
PubChem CID66336904
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namehydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
SMILESCCC(C)(C)c1ccc(OCCC(=O)ONN)cc1
InChIInChI=1S/C14H22N2O3/c1-4-14(2,3)11-5-7-12(8-6-11)18-10-9-13(17)19-16-15/h5-8,16H,4,9-10,15H2,1-3H3
InChIKeyRZFGKNIXGNZSLE-UHFFFAOYSA-N
XLogP2.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
(3,4-dimethylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate
CID 2072155
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559
2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040659
(4-chloro-3,5-dimethylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate
CID 2072172
2-(ethylamino)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040484
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[3-[4-(2-methylbutan-2-yl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 167317201
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate?
The IUPAC name of hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate (CID 66336904) is hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate is CCC(C)(C)c1ccc(OCCC(=O)ONN)cc1.
What is the InChIKey of hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate?
The InChIKey is RZFGKNIXGNZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(2,3)11-5-7-12(8-6-11)18-10-9-13(17)19-16-15/h5-8,16H,4,9-10,15H2,1-3H3.
What are the key properties of hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate?
hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate is sourced from PubChem (CID 66336904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).