3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

C20H24BrNO5 — CID 46568198

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1Br
InChIInChI=1S/C20H24BrNO5/c1-24-16-7-5-13(9-15(16)21)6-8-20(23)22-12-14-10-18(26-3)19(27-4)11-17(14)25-2/h5,7,9-11H,6,8,12H2,1-4H3,(H,22,23)
InChIKeyFNOXRQZHWJSVND-UHFFFAOYSA-N
MW438.32 g/mol
LogP3.73
Rot. Bonds9

About 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 46568198) has the molecular formula C20H24BrNO5 and a molecular weight of 438.32 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID46568198
Molecular FormulaC20H24BrNO5
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1Br
InChIInChI=1S/C20H24BrNO5/c1-24-16-7-5-13(9-15(16)21)6-8-20(23)22-12-14-10-18(26-3)19(27-4)11-17(14)25-2/h5,7,9-11H,6,8,12H2,1-4H3,(H,22,23)
InChIKeyFNOXRQZHWJSVND-UHFFFAOYSA-N
XLogP3.73
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
2-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]butanoic acid
CID 65219208
(2S)-4-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107834076
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (CID 46568198) is 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is FNOXRQZHWJSVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO5/c1-24-16-7-5-13(9-15(16)21)6-8-20(23)22-12-14-10-18(26-3)19(27-4)11-17(14)25-2/h5,7,9-11H,6,8,12H2,1-4H3,(H,22,23).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 438.32 g/mol, XLogP of 3.73, 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-[(2,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46568198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).