hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate

C13H21N3O3 — CID 66338016

IUPAChydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
SMILESCCN(CC)c1cccc(OCCC(=O)ONN)c1
InChIInChI=1S/C13H21N3O3/c1-3-16(4-2)11-6-5-7-12(10-11)18-9-8-13(17)19-15-14/h5-7,10,15H,3-4,8-9,14H2,1-2H3
InChIKeyXQHBHGCHTLIKGV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.22
Rot. Bonds8

About hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate

hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate (PubChem CID 66338016) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
PubChem CID66338016
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namehydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
SMILESCCN(CC)c1cccc(OCCC(=O)ONN)c1
InChIInChI=1S/C13H21N3O3/c1-3-16(4-2)11-6-5-7-12(10-11)18-9-8-13(17)19-15-14/h5-7,10,15H,3-4,8-9,14H2,1-2H3
InChIKeyXQHBHGCHTLIKGV-UHFFFAOYSA-N
XLogP1.22
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
CID 66337492
hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
CID 66337672
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
[3-(diethylamino)phenyl] 2,2,2-trifluoro-N-methoxycarbonylethanimidate
CID 23248504
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
CID 63515922

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate?
The IUPAC name of hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate (CID 66338016) is hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate is CCN(CC)c1cccc(OCCC(=O)ONN)c1.
What is the InChIKey of hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate?
The InChIKey is XQHBHGCHTLIKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16(4-2)11-6-5-7-12(10-11)18-9-8-13(17)19-15-14/h5-7,10,15H,3-4,8-9,14H2,1-2H3.
What are the key properties of hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate?
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate is sourced from PubChem (CID 66338016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).