N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide

C19H21NO3 — CID 19175983

IUPACN-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cccc(C(C)C)c2)c1
InChIInChI=1S/C19H21NO3/c1-13(2)15-6-5-9-18(11-15)23-12-19(22)20-17-8-4-7-16(10-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyMLJSEBOAZUKNFO-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.03
Rot. Bonds6

About N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 19175983) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID19175983
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cccc(C(C)C)c2)c1
InChIInChI=1S/C19H21NO3/c1-13(2)15-6-5-9-18(11-15)23-12-19(22)20-17-8-4-7-16(10-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyMLJSEBOAZUKNFO-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
2-(3-acetylphenoxy)-N-[3-(methoxymethyl)phenyl]acetamide
CID 33099560
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 19175983) is N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2cccc(C(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is MLJSEBOAZUKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)15-6-5-9-18(11-15)23-12-19(22)20-17-8-4-7-16(10-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).