3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C23H29BrN2O4 — CID 55574638

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N2CCOCC2)cc1
InChIInChI=1S/C23H29BrN2O4/c1-28-19-7-5-18(6-8-19)21(26-11-13-30-14-12-26)16-25-23(27)10-4-17-3-9-22(29-2)20(24)15-17/h3,5-9,15,21H,4,10-14,16H2,1-2H3,(H,25,27)
InChIKeyWIXWURXLTRNODV-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.59
Rot. Bonds9

About 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55574638) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55574638
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N2CCOCC2)cc1
InChIInChI=1S/C23H29BrN2O4/c1-28-19-7-5-18(6-8-19)21(26-11-13-30-14-12-26)16-25-23(27)10-4-17-3-9-22(29-2)20(24)15-17/h3,5-9,15,21H,4,10-14,16H2,1-2H3,(H,25,27)
InChIKeyWIXWURXLTRNODV-UHFFFAOYSA-N
XLogP3.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide
CID 30575402
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 55574638) is 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N2CCOCC2)cc1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is WIXWURXLTRNODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-28-19-7-5-18(6-8-19)21(26-11-13-30-14-12-26)16-25-23(27)10-4-17-3-9-22(29-2)20(24)15-17/h3,5-9,15,21H,4,10-14,16H2,1-2H3,(H,25,27).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 477.40 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55574638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).