2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide

C13H18N2O2 — CID 94803257

IUPAC2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPXXXAMHCYBWGOH-NSHDSACASA-N
MW234.30 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide

2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 94803257) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID94803257
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPXXXAMHCYBWGOH-NSHDSACASA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 94803257) is 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide is Cc1ccc(OCC(=O)N[C@H]2CCNC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is PXXXAMHCYBWGOH-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-2-4-12(5-3-10)17-9-13(16)15-11-6-7-14-8-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 94803257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).