2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

C18H25NO4 — CID 71911930

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C18H25NO4/c1-12(20)13-7-8-15(23-4)14(10-13)11-17(21)19-9-5-6-16(19)18(2,3)22/h7-8,10,16,22H,5-6,9,11H2,1-4H3
InChIKeyNNYHUSYEENSTNG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.20
Rot. Bonds5

About 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 71911930) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID71911930
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C18H25NO4/c1-12(20)13-7-8-15(23-4)14(10-13)11-17(21)19-9-5-6-16(19)18(2,3)22/h7-8,10,16,22H,5-6,9,11H2,1-4H3
InChIKeyNNYHUSYEENSTNG-UHFFFAOYSA-N
XLogP2.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
2-O-[(5-acetyl-2-methoxyphenyl)methyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 7569403
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
2-[(2R)-1-[2-(5-acetyl-2-methoxyphenyl)acetyl]azepan-2-yl]-1-phenylethanone
CID 96533586
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (CID 71911930) is 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCCC1C(C)(C)O.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NNYHUSYEENSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12(20)13-7-8-15(23-4)14(10-13)11-17(21)19-9-5-6-16(19)18(2,3)22/h7-8,10,16,22H,5-6,9,11H2,1-4H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 319.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71911930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).