N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide

C13H18N2O2 — CID 104826135

IUPACN-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
SMILESCC1CNCC1NC(=O)COc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10-7-14-8-12(10)15-13(16)9-17-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)
InChIKeyLDANNOJUJMQMTQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.79
Rot. Bonds4

About N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide

N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide (PubChem CID 104826135) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
PubChem CID104826135
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
SMILESCC1CNCC1NC(=O)COc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10-7-14-8-12(10)15-13(16)9-17-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)
InChIKeyLDANNOJUJMQMTQ-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
2-methoxy-N-(4-methylpyrrolidin-3-yl)acetamide
CID 104826197
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 154908073

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide (CID 104826135) is N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide is CC1CNCC1NC(=O)COc1ccccc1.
What is the InChIKey of N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide?
The InChIKey is LDANNOJUJMQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-14-8-12(10)15-13(16)9-17-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide?
N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide has a molecular weight of 234.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 104826135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).