[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium

C17H20NO3+ — CID 7046932

IUPAC[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
SMILESCCOC(=O)[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)16(18)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16H,2,12,18H2,1H3/p+1/t16-/m0/s1
InChIKeyUZROVLUHPUJYOK-INIZCTEOSA-O
MW286.35 g/mol
LogP2.11
Rot. Bonds6

About [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium

[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium (PubChem CID 7046932) has the molecular formula C17H20NO3+ and a molecular weight of 286.35 g/mol. Its IUPAC name is [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
PubChem CID7046932
Molecular FormulaC17H20NO3+
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
SMILESCCOC(=O)[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)16(18)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16H,2,12,18H2,1H3/p+1/t16-/m0/s1
InChIKeyUZROVLUHPUJYOK-INIZCTEOSA-O
XLogP2.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
diethyl 2-oxo-3-(3-phenylmethoxyphenyl)butanedioate;ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 159281106
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium?
The IUPAC name of [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium (CID 7046932) is [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium?
The canonical SMILES for [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium is CCOC(=O)[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium?
The InChIKey is UZROVLUHPUJYOK-INIZCTEOSA-O. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)16(18)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16H,2,12,18H2,1H3/p+1/t16-/m0/s1.
What are the key properties of [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium?
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium has a molecular weight of 286.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium is sourced from PubChem (CID 7046932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).