(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide

C16H21N3O2 — CID 94796902

IUPAC(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C
InChIInChI=1S/C16H21N3O2/c1-12(21-15-7-5-13(10-17)6-8-15)16(20)18-11-14-4-3-9-19(14)2/h5-8,12,14H,3-4,9,11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyABZAWUJQHDEPIS-TZMCWYRMSA-N
MW287.36 g/mol
LogP1.54
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide

(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 94796902) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
PubChem CID94796902
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C
InChIInChI=1S/C16H21N3O2/c1-12(21-15-7-5-13(10-17)6-8-15)16(20)18-11-14-4-3-9-19(14)2/h5-8,12,14H,3-4,9,11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyABZAWUJQHDEPIS-TZMCWYRMSA-N
XLogP1.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 47083560
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide
CID 94866515
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307
4-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887081
2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 42951632
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449643
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide (CID 94796902) is (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ABZAWUJQHDEPIS-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(21-15-7-5-13(10-17)6-8-15)16(20)18-11-14-4-3-9-19(14)2/h5-8,12,14H,3-4,9,11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide?
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 94796902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).