[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone

C17H25NO3 — CID 82550245

IUPAC[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CCCN2)cc1OC(C)C
InChIInChI=1S/C17H25NO3/c1-11(2)20-15-8-7-13(10-16(15)21-12(3)4)17(19)14-6-5-9-18-14/h7-8,10-12,14,18H,5-6,9H2,1-4H3
InChIKeyGXSFSADWRRIRTO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds6

About [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone

[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone (PubChem CID 82550245) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
PubChem CID82550245
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CCCN2)cc1OC(C)C
InChIInChI=1S/C17H25NO3/c1-11(2)20-15-8-7-13(10-16(15)21-12(3)4)17(19)14-6-5-9-18-14/h7-8,10-12,14,18H,5-6,9H2,1-4H3
InChIKeyGXSFSADWRRIRTO-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552949
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167

Frequently Asked Questions

What is the IUPAC name of [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone (CID 82550245) is [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone is CC(C)Oc1ccc(C(=O)C2CCCN2)cc1OC(C)C.
What is the InChIKey of [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone?
The InChIKey is GXSFSADWRRIRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)20-15-8-7-13(10-16(15)21-12(3)4)17(19)14-6-5-9-18-14/h7-8,10-12,14,18H,5-6,9H2,1-4H3.
What are the key properties of [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone?
[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone has a molecular weight of 291.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82550245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).