methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate

C19H29NO4 — CID 55584646

IUPACmethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyRKTNRZOPQQQWCM-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.35
Rot. Bonds8

About methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate (PubChem CID 55584646) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
PubChem CID55584646
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyRKTNRZOPQQQWCM-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate (CID 55584646) is methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate is CCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The InChIKey is RKTNRZOPQQQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21).
What are the key properties of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate has a molecular weight of 335.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate is sourced from PubChem (CID 55584646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).