N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide

C24H28Br2N2O5 — CID 21171013

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
SMILESCOc1cc(CN(C(=O)c2cc(Br)cc(Br)c2OC)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C24H28Br2N2O5/c1-31-21-10-15(8-9-20(21)33-14-22(27)29)13-28(17-6-4-3-5-7-17)24(30)18-11-16(25)12-19(26)23(18)32-2/h8-12,17H,3-7,13-14H2,1-2H3,(H2,27,29)
InChIKeyYCMYRIQWYHJRJN-UHFFFAOYSA-N
MW584.31 g/mol
LogP5.07
Rot. Bonds9

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide (PubChem CID 21171013) has the molecular formula C24H28Br2N2O5 and a molecular weight of 584.31 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
PubChem CID21171013
Molecular FormulaC24H28Br2N2O5
Molecular Weight584.31 g/mol
Exact Mass582.04
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
SMILESCOc1cc(CN(C(=O)c2cc(Br)cc(Br)c2OC)C2CCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C24H28Br2N2O5/c1-31-21-10-15(8-9-20(21)33-14-22(27)29)13-28(17-6-4-3-5-7-17)24(30)18-11-16(25)12-19(26)23(18)32-2/h8-12,17H,3-7,13-14H2,1-2H3,(H2,27,29)
InChIKeyYCMYRIQWYHJRJN-UHFFFAOYSA-N
XLogP5.07
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.31
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
CID 19630167
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-(4-chlorophenyl)acetamide
CID 23100452
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-iodobenzamide
CID 21170925
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide (CID 21171013) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide is COc1cc(CN(C(=O)c2cc(Br)cc(Br)c2OC)C2CCCCC2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide?
The InChIKey is YCMYRIQWYHJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br2N2O5/c1-31-21-10-15(8-9-20(21)33-14-22(27)29)13-28(17-6-4-3-5-7-17)24(30)18-11-16(25)12-19(26)23(18)32-2/h8-12,17H,3-7,13-14H2,1-2H3,(H2,27,29).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide has a molecular weight of 584.31 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide is sourced from PubChem (CID 21171013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).