N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide

C22H28BrNO4 — CID 164945559

IUPACN-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide
SMILESCCOc1cc([C@@H](C)NC(=O)CO[C@@H](C)c2ccccc2)cc(OCC)c1Br
InChIInChI=1S/C22H28BrNO4/c1-5-26-19-12-18(13-20(22(19)23)27-6-2)15(3)24-21(25)14-28-16(4)17-10-8-7-9-11-17/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25)/t15-,16+/m1/s1
InChIKeyHRFWJPKFWPLJIS-CVEARBPZSA-N
MW450.37 g/mol
LogP5.20
Rot. Bonds10

About N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide

N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide (PubChem CID 164945559) has the molecular formula C22H28BrNO4 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide
PubChem CID164945559
Molecular FormulaC22H28BrNO4
Molecular Weight450.37 g/mol
Exact Mass449.12
IUPAC NameN-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide
SMILESCCOc1cc([C@@H](C)NC(=O)CO[C@@H](C)c2ccccc2)cc(OCC)c1Br
InChIInChI=1S/C22H28BrNO4/c1-5-26-19-12-18(13-20(22(19)23)27-6-2)15(3)24-21(25)14-28-16(4)17-10-8-7-9-11-17/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25)/t15-,16+/m1/s1
InChIKeyHRFWJPKFWPLJIS-CVEARBPZSA-N
XLogP5.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-triethoxybenzoate
CID 7860421
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
tert-butyl N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]carbamate
CID 155595623
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8753833
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide (CID 164945559) is N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide is CCOc1cc([C@@H](C)NC(=O)CO[C@@H](C)c2ccccc2)cc(OCC)c1Br.
What is the InChIKey of N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide?
The InChIKey is HRFWJPKFWPLJIS-CVEARBPZSA-N. The full InChI is InChI=1S/C22H28BrNO4/c1-5-26-19-12-18(13-20(22(19)23)27-6-2)15(3)24-21(25)14-28-16(4)17-10-8-7-9-11-17/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25)/t15-,16+/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide?
N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide has a molecular weight of 450.37 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromo-3,5-diethoxyphenyl)ethyl]-2-[(1S)-1-phenylethoxy]acetamide is sourced from PubChem (CID 164945559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).