2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide

C20H24BrNO3 — CID 100701725

IUPAC2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1OCC
InChIInChI=1S/C20H24BrNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyZKHVCDUURXOUAG-AWEZNQCLSA-N
MW406.32 g/mol
LogP4.67
Rot. Bonds8

About 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide

2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 100701725) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID100701725
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1OCC
InChIInChI=1S/C20H24BrNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyZKHVCDUURXOUAG-AWEZNQCLSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
1-(3-bromophenyl)-3-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiourea
CID 92524501
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (CID 100701725) is 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1OCC.
What is the InChIKey of 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is ZKHVCDUURXOUAG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 406.32 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100701725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).