2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide

C19H19NO4 — CID 728861

IUPAC2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC2CC2)c1
InChIInChI=1S/C19H19NO4/c1-23-15-9-10-16(19(22)13-5-3-2-4-6-13)17(11-15)24-12-18(21)20-14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,20,21)
InChIKeyDQLFPSXHCPPQHV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide

2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide (PubChem CID 728861) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide
PubChem CID728861
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC2CC2)c1
InChIInChI=1S/C19H19NO4/c1-23-15-9-10-16(19(22)13-5-3-2-4-6-13)17(11-15)24-12-18(21)20-14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,20,21)
InChIKeyDQLFPSXHCPPQHV-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
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[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(4-methoxyphenyl)methyl]acetamide
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CID 9262818
7-(2-Dimethylamino-ethoxy)-2-phenyl-chromen-4-one
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7-hydroxy-N-[(2S)-4-[2-(4-methoxyphenyl)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
CID 52952992
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-7-methoxy-3-methyl-4-oxochromene-2-carboxamide
CID 53231058
N-[(2S)-4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl]-7-methoxy-3-methyl-4-oxochromene-2-carboxamide
CID 53231148
7-methoxy-N-[(2S)-4-[2-(4-methoxyphenyl)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
CID 53231149

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide (CID 728861) is 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide is COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC2CC2)c1.
What is the InChIKey of 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide?
The InChIKey is DQLFPSXHCPPQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-15-9-10-16(19(22)13-5-3-2-4-6-13)17(11-15)24-12-18(21)20-14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,20,21).
What are the key properties of 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide?
2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide has a molecular weight of 325.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 728861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).