3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide

C20H24BrNO3 — CID 55918241

IUPAC3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N(C)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C20H24BrNO3/c1-6-7-25-19-17(21)11-15(12-18(19)24-5)20(23)22(4)16-9-13(2)8-14(3)10-16/h8-12H,6-7H2,1-5H3
InChIKeySSMLTBMUMURHJQ-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.14
Rot. Bonds6

About 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide

3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide (PubChem CID 55918241) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
PubChem CID55918241
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N(C)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C20H24BrNO3/c1-6-7-25-19-17(21)11-15(12-18(19)24-5)20(23)22(4)16-9-13(2)8-14(3)10-16/h8-12H,6-7H2,1-5H3
InChIKeySSMLTBMUMURHJQ-UHFFFAOYSA-N
XLogP5.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-5-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-propoxybenzamide
CID 31177545
1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974
3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide
CID 78800180
3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
CID 55344036
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 34763497

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide (CID 55918241) is 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)N(C)c2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide?
The InChIKey is SSMLTBMUMURHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-6-7-25-19-17(21)11-15(12-18(19)24-5)20(23)22(4)16-9-13(2)8-14(3)10-16/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide?
3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide has a molecular weight of 406.32 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 55918241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).