(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide

C16H21N3O2 — CID 124884126

IUPAC(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)N(C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3O2/c1-12(2)18(3)16(20)19-7-8-21-15(11-19)14-6-4-5-13(9-14)10-17/h4-6,9,12,15H,7-8,11H2,1-3H3/t15-/m0/s1
InChIKeyWOVAYLDORFJTST-HNNXBMFYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds2

About (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide

(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide (PubChem CID 124884126) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
PubChem CID124884126
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)N(C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3O2/c1-12(2)18(3)16(20)19-7-8-21-15(11-19)14-6-4-5-13(9-14)10-17/h4-6,9,12,15H,7-8,11H2,1-3H3/t15-/m0/s1
InChIKeyWOVAYLDORFJTST-HNNXBMFYSA-N
XLogP2.39
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
CID 124883023
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
3-[(2S)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741803
3-[(2R)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741802
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
CID 124887188
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
(2S)-2-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(3-cyanophenyl)ethyl]morpholine-4-carboxamide
CID 129434626
3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
CID 124741580
(2S)-2-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(3-cyanophenyl)ethyl]morpholine-4-carboxamide
CID 129434628
2-(3-cyanophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]morpholine-4-carbothioamide
CID 166188710
3-[4-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)morpholin-2-yl]benzonitrile
CID 166189536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide (CID 124884126) is (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide is CC(C)N(C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1.
What is the InChIKey of (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is WOVAYLDORFJTST-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)18(3)16(20)19-7-8-21-15(11-19)14-6-4-5-13(9-14)10-17/h4-6,9,12,15H,7-8,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide?
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 124884126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).