ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate

C22H23NO3 — CID 86051914

IUPACethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C22H23NO3/c1-2-25-22(24)15-23-14-18-8-9-20-13-21(11-10-19(20)12-18)26-16-17-6-4-3-5-7-17/h3-13,23H,2,14-16H2,1H3
InChIKeyXPENDNZYVVXKGA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.07
Rot. Bonds8

About ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate

ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate (PubChem CID 86051914) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
PubChem CID86051914
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C22H23NO3/c1-2-25-22(24)15-23-14-18-8-9-20-13-21(11-10-19(20)12-18)26-16-17-6-4-3-5-7-17/h3-13,23H,2,14-16H2,1H3
InChIKeyXPENDNZYVVXKGA-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate (CID 86051914) is ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate is CCOC(=O)CNCc1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate?
The InChIKey is XPENDNZYVVXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-2-25-22(24)15-23-14-18-8-9-20-13-21(11-10-19(20)12-18)26-16-17-6-4-3-5-7-17/h3-13,23H,2,14-16H2,1H3.
What are the key properties of ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate?
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate has a molecular weight of 349.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate is sourced from PubChem (CID 86051914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).