[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate

C26H36N2O4 — CID 123948310

IUPAC[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OC(C)(C)CCOC(C)(C)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-25(2,32-24(30)20-11-15-22(16-12-20)28(7)8)17-18-31-26(3,4)23(29)19-9-13-21(14-10-19)27(5)6/h9-16H,17-18H2,1-8H3
InChIKeyUSXCGMCQDGJRPS-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.82
Rot. Bonds10

About [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate

[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate (PubChem CID 123948310) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate
PubChem CID123948310
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OC(C)(C)CCOC(C)(C)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-25(2,32-24(30)20-11-15-22(16-12-20)28(7)8)17-18-31-26(3,4)23(29)19-9-13-21(14-10-19)27(5)6/h9-16H,17-18H2,1-8H3
InChIKeyUSXCGMCQDGJRPS-UHFFFAOYSA-N
XLogP4.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate with MolForge

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Related Compounds

[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 138527211
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
tert-butyl 4-[4-(dimethylamino)phenyl]selanylbenzoate
CID 100962863
[4-[(E)-2-(3,3-dimethyl-4-oxo-4-phenylbutoxy)ethenoxy]-2-methylbutan-2-yl] benzoate
CID 142135793
CID 70858409
CID 70858409
4-(1-hydroxy-2-methylpropan-2-yl)oxycarbonylbenzoic acid
CID 175119193
2-methylpentan-2-yl benzoate;hydrate
CID 162320835
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
[5-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-iodo-1-oxopropan-2-yl]oxy-2-methylpentan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 167045239

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate?
The IUPAC name of [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate (CID 123948310) is [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate?
The canonical SMILES for [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OC(C)(C)CCOC(C)(C)C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate?
The InChIKey is USXCGMCQDGJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-25(2,32-24(30)20-11-15-22(16-12-20)28(7)8)17-18-31-26(3,4)23(29)19-9-13-21(14-10-19)27(5)6/h9-16H,17-18H2,1-8H3.
What are the key properties of [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate?
[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate has a molecular weight of 440.58 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 123948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).