N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C19H23NO3 — CID 723516

IUPACN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)20-19(21)13-23-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyVBUJTSIAQWCKCT-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.23
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 723516) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID723516
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)20-19(21)13-23-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyVBUJTSIAQWCKCT-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 723516) is N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide is CCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is VBUJTSIAQWCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)20-19(21)13-23-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 313.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 723516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).