ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate

C18H27NO3 — CID 146168911

IUPACethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate
SMILESCCOC(=O)C(CCc1ccccc1)(CC(C)C)NC(C)=O
InChIInChI=1S/C18H27NO3/c1-5-22-17(21)18(13-14(2)3,19-15(4)20)12-11-16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3,(H,19,20)
InChIKeyCPENABSIRZOVCI-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.10
Rot. Bonds8

About ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate

ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate (PubChem CID 146168911) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate
PubChem CID146168911
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate
SMILESCCOC(=O)C(CCc1ccccc1)(CC(C)C)NC(C)=O
InChIInChI=1S/C18H27NO3/c1-5-22-17(21)18(13-14(2)3,19-15(4)20)12-11-16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3,(H,19,20)
InChIKeyCPENABSIRZOVCI-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate?
The IUPAC name of ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate (CID 146168911) is ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate.
What is the SMILES notation for ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate?
The canonical SMILES for ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate is CCOC(=O)C(CCc1ccccc1)(CC(C)C)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate?
The InChIKey is CPENABSIRZOVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-22-17(21)18(13-14(2)3,19-15(4)20)12-11-16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3,(H,19,20).
What are the key properties of ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate?
ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate has a molecular weight of 305.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-methyl-2-(2-phenylethyl)pentanoate is sourced from PubChem (CID 146168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).