2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

C13H19NO2 — CID 23627162

IUPAC2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(14-13(15)10-16-2)8-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyUXTNQJMYLKRYBK-LLVKDONJSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds6

About 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 23627162) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID23627162
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(14-13(15)10-16-2)8-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyUXTNQJMYLKRYBK-LLVKDONJSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 23627162) is 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is COCC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is UXTNQJMYLKRYBK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(14-13(15)10-16-2)8-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 23627162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).