N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide

C19H23NO2 — CID 2788031

IUPACN-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)16-9-11-18(12-10-16)22-13-19(21)20-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyKWHVZMKLFFVTOZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.07
Rot. Bonds6

About N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 2788031) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID2788031
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)16-9-11-18(12-10-16)22-13-19(21)20-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyKWHVZMKLFFVTOZ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 2788031) is N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is KWHVZMKLFFVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)16-9-11-18(12-10-16)22-13-19(21)20-15(3)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 297.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2788031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).