(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C17H25NO2 — CID 106982068

IUPAC(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)17(8-9-18-11-17)16(19)14-6-5-7-15(10-14)20-13(3)4/h5-7,10,12-13,18H,8-9,11H2,1-4H3
InChIKeyJQLDXFMICPSOHX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.29
Rot. Bonds5

About (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982068) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982068
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)17(8-9-18-11-17)16(19)14-6-5-7-15(10-14)20-13(3)4/h5-7,10,12-13,18H,8-9,11H2,1-4H3
InChIKeyJQLDXFMICPSOHX-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982166
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 131691578

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982068) is (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)Oc1cccc(C(=O)C2(C(C)C)CCNC2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is JQLDXFMICPSOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)17(8-9-18-11-17)16(19)14-6-5-7-15(10-14)20-13(3)4/h5-7,10,12-13,18H,8-9,11H2,1-4H3.
What are the key properties of (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).