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

C16H21N3O2 — CID 2653628

IUPAC(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m0/s1
InChIKeyOOZZZEMBFUTHGX-XQQFMLRXSA-N
MW287.36 g/mol
LogP1.99
Rot. Bonds3

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

(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 2653628) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID2653628
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1
InChIInChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m0/s1
InChIKeyOOZZZEMBFUTHGX-XQQFMLRXSA-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

(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide (CID 2653628) is (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide is C[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is OOZZZEMBFUTHGX-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-19(10-12(2)21-11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,9-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-(4-cyanophenyl)-2-[(2R,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 (2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 2653628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).