ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate

C17H21NO4 — CID 15578559

IUPACethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate
SMILESCCOC(=O)CNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H21NO4/c1-2-21-17(20)11-18-10-14(19)12-22-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18-19H,2,10-12H2,1H3
InChIKeySFQAVXOKFGMCEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.73
Rot. Bonds8

About ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate

ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate (PubChem CID 15578559) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate
PubChem CID15578559
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate
SMILESCCOC(=O)CNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H21NO4/c1-2-21-17(20)11-18-10-14(19)12-22-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18-19H,2,10-12H2,1H3
InChIKeySFQAVXOKFGMCEK-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate (CID 15578559) is ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate is CCOC(=O)CNCC(O)COc1cccc2ccccc12.
What is the InChIKey of ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate?
The InChIKey is SFQAVXOKFGMCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-2-21-17(20)11-18-10-14(19)12-22-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18-19H,2,10-12H2,1H3.
What are the key properties of ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate?
ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate has a molecular weight of 303.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]acetate is sourced from PubChem (CID 15578559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).