ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate

C20H24N2O5 — CID 71454050

IUPACethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-4-26-19(23)13-27-17-11-10-16(12-18(17)25-3)22-20(24)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyAFNUIFPNPZVIFB-AWEZNQCLSA-N
MW372.42 g/mol
LogP3.52
Rot. Bonds8

About ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate

ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate (PubChem CID 71454050) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate
PubChem CID71454050
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-4-26-19(23)13-27-17-11-10-16(12-18(17)25-3)22-20(24)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyAFNUIFPNPZVIFB-AWEZNQCLSA-N
XLogP3.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate (CID 71454050) is ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate?
The InChIKey is AFNUIFPNPZVIFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-26-19(23)13-27-17-11-10-16(12-18(17)25-3)22-20(24)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate?
ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate has a molecular weight of 372.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-4-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]acetate is sourced from PubChem (CID 71454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).