3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide

C20H24BrNO4 — CID 34865376

IUPAC3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc(Br)c(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H24BrNO4/c1-5-25-16-9-7-14(8-10-16)13-22(3)20(23)15-11-17(21)19(26-6-2)18(12-15)24-4/h7-12H,5-6,13H2,1-4H3
InChIKeyUQOXIFOFTDKCFR-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.53
Rot. Bonds8

About 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide

3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide (PubChem CID 34865376) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
PubChem CID34865376
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc(Br)c(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H24BrNO4/c1-5-25-16-9-7-14(8-10-16)13-22(3)20(23)15-11-17(21)19(26-6-2)18(12-15)24-4/h7-12H,5-6,13H2,1-4H3
InChIKeyUQOXIFOFTDKCFR-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 34988962
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 34763497
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide (CID 34865376) is 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide is CCOc1ccc(CN(C)C(=O)c2cc(Br)c(OCC)c(OC)c2)cc1.
What is the InChIKey of 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide?
The InChIKey is UQOXIFOFTDKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-5-25-16-9-7-14(8-10-16)13-22(3)20(23)15-11-17(21)19(26-6-2)18(12-15)24-4/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide?
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide has a molecular weight of 422.32 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 34865376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).