2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one

C16H24N2O2 — CID 43123154

IUPAC2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)Oc1ccc(NC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-15-8-6-14(7-9-15)17-13(3)16(19)18-10-4-5-11-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyLXYRHPRBUBUIJD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43123154) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43123154
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)Oc1ccc(NC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-15-8-6-14(7-9-15)17-13(3)16(19)18-10-4-5-11-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyLXYRHPRBUBUIJD-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
methyl N-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522624

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 43123154) is 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one is CC(C)Oc1ccc(NC(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LXYRHPRBUBUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-15-8-6-14(7-9-15)17-13(3)16(19)18-10-4-5-11-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43123154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).