2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

C14H21N3O2 — CID 60855037

IUPAC2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)COc2ccccc2N)C1
InChIInChI=1S/C14H21N3O2/c1-17-7-6-11(9-17)8-16-14(18)10-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyIJHGNTMIGFJHCA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.72
Rot. Bonds5

About 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 60855037) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
PubChem CID60855037
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)COc2ccccc2N)C1
InChIInChI=1S/C14H21N3O2/c1-17-7-6-11(9-17)8-16-14(18)10-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyIJHGNTMIGFJHCA-UHFFFAOYSA-N
XLogP0.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
CID 95212752
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
CID 95214572
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
3-(2-aminophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79079684
2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide
CID 61111655
2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61461595
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (CID 60855037) is 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is CN1CCC(CNC(=O)COc2ccccc2N)C1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is IJHGNTMIGFJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-7-6-11(9-17)8-16-14(18)10-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 60855037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).