2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

C17H23N3O2 — CID 94799999

IUPAC2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)N1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H23N3O2/c1-13(2)20-8-7-15(11-20)10-19-17(21)12-22-16-5-3-14(9-18)4-6-16/h3-6,13,15H,7-8,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyISJHBJWISSDAQN-OAHLLOKOSA-N
MW301.39 g/mol
LogP1.78
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 94799999) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
PubChem CID94799999
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)N1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H23N3O2/c1-13(2)20-8-7-15(11-20)10-19-17(21)12-22-16-5-3-14(9-18)4-6-16/h3-6,13,15H,7-8,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyISJHBJWISSDAQN-OAHLLOKOSA-N
XLogP1.78
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 47086830
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
2-piperidin-4-yloxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 63875880
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (CID 94799999) is 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is CC(C)N1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is ISJHBJWISSDAQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)20-8-7-15(11-20)10-19-17(21)12-22-16-5-3-14(9-18)4-6-16/h3-6,13,15H,7-8,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 94799999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).