N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide

C13H18N2O2 — CID 86321304

IUPACN-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)15-12-2-4-13(5-3-12)17-9-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyMVDOCXMYBDMFPC-LLVKDONJSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds4

About N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide

N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide (PubChem CID 86321304) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
PubChem CID86321304
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)15-12-2-4-13(5-3-12)17-9-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyMVDOCXMYBDMFPC-LLVKDONJSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
2-amino-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone
CID 170861087
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
3-[[4-(trifluoromethylsulfonyl)phenoxy]methyl]pyrrolidine
CID 62371607
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide (CID 86321304) is N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H]2CCNC2)cc1.
What is the InChIKey of N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide?
The InChIKey is MVDOCXMYBDMFPC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)15-12-2-4-13(5-3-12)17-9-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide?
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 86321304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).