2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide

C18H23NO3 — CID 52568362

IUPAC2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C2CCCC2)C2CC2)cc1
InChIInChI=1S/C18H23NO3/c1-13(20)14-6-10-17(11-7-14)22-12-18(21)19(16-8-9-16)15-4-2-3-5-15/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3
InChIKeyGGNGAEAOXINZAZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide

2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide (PubChem CID 52568362) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
PubChem CID52568362
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C2CCCC2)C2CC2)cc1
InChIInChI=1S/C18H23NO3/c1-13(20)14-6-10-17(11-7-14)22-12-18(21)19(16-8-9-16)15-4-2-3-5-15/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3
InChIKeyGGNGAEAOXINZAZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
CID 24534031
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
methyl 4-[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 9417003
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
ethyl 4-[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7705996
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide (CID 52568362) is 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide is CC(=O)c1ccc(OCC(=O)N(C2CCCC2)C2CC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide?
The InChIKey is GGNGAEAOXINZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(20)14-6-10-17(11-7-14)22-12-18(21)19(16-8-9-16)15-4-2-3-5-15/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3.
What are the key properties of 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide?
2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide has a molecular weight of 301.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide is sourced from PubChem (CID 52568362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).