2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide

C30H36N2O6 — CID 67082899

IUPAC2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1cc(OC)cc(C(C)(C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3cc(OC)cc(OC)c3)cc2)c1
InChIInChI=1S/C30H36N2O6/c1-29(2,19-13-23(35-5)17-24(14-19)36-6)27(33)31-21-9-11-22(12-10-21)32-28(34)30(3,4)20-15-25(37-7)18-26(16-20)38-8/h9-18H,1-8H3,(H,31,33)(H,32,34)
InChIKeyHVJCLUNRCJRVTQ-UHFFFAOYSA-N
MW520.63 g/mol
LogP5.55
Rot. Bonds10

About 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide

2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide (PubChem CID 67082899) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
PubChem CID67082899
Molecular FormulaC30H36N2O6
Molecular Weight520.63 g/mol
Exact Mass520.26
IUPAC Name2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1cc(OC)cc(C(C)(C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3cc(OC)cc(OC)c3)cc2)c1
InChIInChI=1S/C30H36N2O6/c1-29(2,19-13-23(35-5)17-24(14-19)36-6)27(33)31-21-9-11-22(12-10-21)32-28(34)30(3,4)20-15-25(37-7)18-26(16-20)38-8/h9-18H,1-8H3,(H,31,33)(H,32,34)
InChIKeyHVJCLUNRCJRVTQ-UHFFFAOYSA-N
XLogP5.55
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
2-(4-methoxyphenyl)-2-methyl-N-(4-propan-2-ylphenyl)propanamide
CID 113197616
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 113197625
2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 134102861
N-(3-acetamidophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438763
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide
CID 168736985
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
2-(4-methoxyphenyl)-2-methyl-N-(2-methyl-4-pyridinyl)propanamide
CID 110439571

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide (CID 67082899) is 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide is COc1cc(OC)cc(C(C)(C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3cc(OC)cc(OC)c3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is HVJCLUNRCJRVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O6/c1-29(2,19-13-23(35-5)17-24(14-19)36-6)27(33)31-21-9-11-22(12-10-21)32-28(34)30(3,4)20-15-25(37-7)18-26(16-20)38-8/h9-18H,1-8H3,(H,31,33)(H,32,34).
What are the key properties of 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide?
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 520.63 g/mol, XLogP of 5.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 67082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).