2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C25H35N3O2 — CID 171114990

IUPAC2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCN(C(=O)CNCC(=O)NC(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C25H35N3O2/c1-24(2,16-20-12-8-6-9-13-20)27-22(29)18-26-19-23(30)28(5)25(3,4)17-21-14-10-7-11-15-21/h6-15,26H,16-19H2,1-5H3,(H,27,29)
InChIKeyZJLNAENSMYQWML-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.19
Rot. Bonds10

About 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 171114990) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID171114990
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCN(C(=O)CNCC(=O)NC(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C25H35N3O2/c1-24(2,16-20-12-8-6-9-13-20)27-22(29)18-26-19-23(30)28(5)25(3,4)17-21-14-10-7-11-15-21/h6-15,26H,16-19H2,1-5H3,(H,27,29)
InChIKeyZJLNAENSMYQWML-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 171114990) is 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CN(C(=O)CNCC(=O)NC(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1.
What is the InChIKey of 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is ZJLNAENSMYQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-24(2,16-20-12-8-6-9-13-20)27-22(29)18-26-19-23(30)28(5)25(3,4)17-21-14-10-7-11-15-21/h6-15,26H,16-19H2,1-5H3,(H,27,29).
What are the key properties of 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 409.57 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 171114990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).