[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate

C22H31NO3 — CID 146582262

IUPAC[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate
SMILESCC(C)(CCOC(C)(C)c1ccc2ccccc2c1)OC(=O)C(C)(C)N
InChIInChI=1S/C22H31NO3/c1-20(2,26-19(24)21(3,4)23)13-14-25-22(5,6)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,13-14,23H2,1-6H3
InChIKeyNKYSSLBSXKJOJL-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.54
Rot. Bonds7

About [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate

[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate (PubChem CID 146582262) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate
PubChem CID146582262
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate
SMILESCC(C)(CCOC(C)(C)c1ccc2ccccc2c1)OC(=O)C(C)(C)N
InChIInChI=1S/C22H31NO3/c1-20(2,26-19(24)21(3,4)23)13-14-25-22(5,6)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,13-14,23H2,1-6H3
InChIKeyNKYSSLBSXKJOJL-UHFFFAOYSA-N
XLogP4.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate?
The IUPAC name of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate (CID 146582262) is [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate.
What is the SMILES notation for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate?
The canonical SMILES for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate is CC(C)(CCOC(C)(C)c1ccc2ccccc2c1)OC(=O)C(C)(C)N.
What is the InChIKey of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate?
The InChIKey is NKYSSLBSXKJOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-20(2,26-19(24)21(3,4)23)13-14-25-22(5,6)18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,13-14,23H2,1-6H3.
What are the key properties of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate?
[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate has a molecular weight of 357.49 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate is sourced from PubChem (CID 146582262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).