[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium

C14H22NO4+ — CID 7447456

IUPAC[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-13-8-10(6-7-12(13)17-3)11(15)9-14(16)19-5-2/h6-8,11H,4-5,9,15H2,1-3H3/p+1/t11-/m1/s1
InChIKeyCULNJCKWLSGTIW-LLVKDONJSA-O
MW268.33 g/mol
LogP1.33
Rot. Bonds7

About [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium

[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium (PubChem CID 7447456) has the molecular formula C14H22NO4+ and a molecular weight of 268.33 g/mol. Its IUPAC name is [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium.

Molecular Properties

Compound Name[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
PubChem CID7447456
Molecular FormulaC14H22NO4+
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-13-8-10(6-7-12(13)17-3)11(15)9-14(16)19-5-2/h6-8,11H,4-5,9,15H2,1-3H3/p+1/t11-/m1/s1
InChIKeyCULNJCKWLSGTIW-LLVKDONJSA-O
XLogP1.33
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]azanium
CID 4201976
[(1S)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium
CID 7131802
[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium
CID 142314842
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
ethyl (3S)-3-amino-3-(3-ethoxy-4-methoxyphenyl)-2-fluoropropanoate
CID 171250049
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
1,3-bis(3-ethoxy-4-methoxyphenyl)-1,3-bis(4-methylphenyl)propan-2-one
CID 141342275
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
CID 7022712
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium?
The IUPAC name of [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium (CID 7447456) is [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium.
What is the SMILES notation for [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium?
The canonical SMILES for [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium is CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(OCC)c1.
What is the InChIKey of [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium?
The InChIKey is CULNJCKWLSGTIW-LLVKDONJSA-O. The full InChI is InChI=1S/C14H21NO4/c1-4-18-13-8-10(6-7-12(13)17-3)11(15)9-14(16)19-5-2/h6-8,11H,4-5,9,15H2,1-3H3/p+1/t11-/m1/s1.
What are the key properties of [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium?
[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium has a molecular weight of 268.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium is sourced from PubChem (CID 7447456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).