3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate

C17H18N2O4 — CID 70574581

IUPAC3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate
SMILESCC(Oc1ccccc1)(Oc1ccccn1)C(=O)OCC=CN
InChIInChI=1S/C17H18N2O4/c1-17(16(20)21-13-7-11-18,22-14-8-3-2-4-9-14)23-15-10-5-6-12-19-15/h2-12H,13,18H2,1H3
InChIKeyUDACAWADGSNFJK-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.27
Rot. Bonds7

About 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate

3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate (PubChem CID 70574581) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate.

Molecular Properties

Compound Name3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate
PubChem CID70574581
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate
SMILESCC(Oc1ccccc1)(Oc1ccccn1)C(=O)OCC=CN
InChIInChI=1S/C17H18N2O4/c1-17(16(20)21-13-7-11-18,22-14-8-3-2-4-9-14)23-15-10-5-6-12-19-15/h2-12H,13,18H2,1H3
InChIKeyUDACAWADGSNFJK-UHFFFAOYSA-N
XLogP2.27
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide
CID 70631337
2-methyl-2-pyridin-2-yloxypropan-1-amine
CID 117051394
4,4,4-trifluoro-2-methyl-2-pyridin-2-yloxybutanamide
CID 140553367
2-pyridin-2-yloxypropane-2-thiol
CID 123837409
2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid
CID 20542489
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
ethane;2-phenoxypyridine
CID 90835857
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
2-methyl-1-pyridin-2-yloxypropan-2-amine
CID 51684261
2-methyl-1-pyridin-2-yloxypropan-2-ol
CID 89434781
2-butoxypyridine;carbonic acid
CID 159061563
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155

Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate?
The IUPAC name of 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate (CID 70574581) is 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate.
What is the SMILES notation for 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate?
The canonical SMILES for 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate is CC(Oc1ccccc1)(Oc1ccccn1)C(=O)OCC=CN.
What is the InChIKey of 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate?
The InChIKey is UDACAWADGSNFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(16(20)21-13-7-11-18,22-14-8-3-2-4-9-14)23-15-10-5-6-12-19-15/h2-12H,13,18H2,1H3.
What are the key properties of 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate?
3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate has a molecular weight of 314.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-2-enyl 2-phenoxy-2-pyridin-2-yloxypropanoate is sourced from PubChem (CID 70574581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).