3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide

C20H24BrNO4 — CID 55344036

IUPAC3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N(C)CCOc2ccccc2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-4-11-26-19-17(21)13-15(14-18(19)24-3)20(23)22(2)10-12-25-16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyNVCYRRJEQMMTOX-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.40
Rot. Bonds9

About 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide

3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide (PubChem CID 55344036) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
PubChem CID55344036
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N(C)CCOc2ccccc2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-4-11-26-19-17(21)13-15(14-18(19)24-3)20(23)22(2)10-12-25-16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyNVCYRRJEQMMTOX-UHFFFAOYSA-N
XLogP4.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 55918241
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 34763497
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-bromo-N-[2-(dimethylamino)-3-phenylpropyl]-5-methoxy-4-propoxybenzamide
CID 55337317
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
3-bromo-5-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-propoxybenzamide
CID 31177545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide (CID 55344036) is 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)N(C)CCOc2ccccc2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide?
The InChIKey is NVCYRRJEQMMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-4-11-26-19-17(21)13-15(14-18(19)24-3)20(23)22(2)10-12-25-16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3.
What are the key properties of 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide?
3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide has a molecular weight of 422.32 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide is sourced from PubChem (CID 55344036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).