N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide

C12H16N2O2 — CID 86322818

IUPACN-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@H]2CCNC2)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)14-10-2-4-11(5-3-10)16-12-6-7-13-8-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyOIOOKKMGWVYERE-LBPRGKRZSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds3

About N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide

N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide (PubChem CID 86322818) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
PubChem CID86322818
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@H]2CCNC2)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)14-10-2-4-11(5-3-10)16-12-6-7-13-8-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyOIOOKKMGWVYERE-LBPRGKRZSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacetin
CID 4754
Practolol
CID 4883
Propacetamol
CID 68865
Bucetin
CID 14130
N-(4-Methoxyphenyl)Acetamide
CID 5827
Dulcin
CID 9013
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
Diamfenetide
CID 37384
N-(4-Phenoxyphenyl)acetamide
CID 80579
Samelisant
CID 60151477

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide (CID 86322818) is N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(O[C@H]2CCNC2)cc1.
What is the InChIKey of N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide?
The InChIKey is OIOOKKMGWVYERE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)14-10-2-4-11(5-3-10)16-12-6-7-13-8-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide?
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 86322818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).