(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

C16H21N3O2 — CID 99850769

IUPAC(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-5-14(7-15)8-17/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12-,13+/m0/s1
InChIKeyACTAZYQDBWVAMB-RWMBFGLXSA-N
MW287.36 g/mol
LogP1.99
Rot. Bonds3

About (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 99850769) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID99850769
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-5-14(7-15)8-17/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12-,13+/m0/s1
InChIKeyACTAZYQDBWVAMB-RWMBFGLXSA-N
XLogP1.99
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 79835043
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 55565458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (CID 99850769) is (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is ACTAZYQDBWVAMB-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-5-14(7-15)8-17/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12-,13+/m0/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 99850769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).