(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C16H23N3O3 — CID 32720606

IUPAC(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCc1oc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C
InChIInChI=1S/C16H23N3O3/c1-9-7-19(8-10(2)21-9)12(4)15(20)18-16-14(6-17)11(3)13(5)22-16/h9-10,12H,7-8H2,1-5H3,(H,18,20)/t9-,10-,12+/m1/s1
InChIKeyUZMCPQMTNSEYQN-FOGDFJRCSA-N
MW305.38 g/mol
LogP2.20
Rot. Bonds3

About (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 32720606) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID32720606
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCc1oc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C
InChIInChI=1S/C16H23N3O3/c1-9-7-19(8-10(2)21-9)12(4)15(20)18-16-14(6-17)11(3)13(5)22-16/h9-10,12H,7-8H2,1-5H3,(H,18,20)/t9-,10-,12+/m1/s1
InChIKeyUZMCPQMTNSEYQN-FOGDFJRCSA-N
XLogP2.20
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497013
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 86918779
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
CID 87016782
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600995
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 78857275
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 95978164

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 32720606) is (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is Cc1oc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C.
What is the InChIKey of (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is UZMCPQMTNSEYQN-FOGDFJRCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9-7-19(8-10(2)21-9)12(4)15(20)18-16-14(6-17)11(3)13(5)22-16/h9-10,12H,7-8H2,1-5H3,(H,18,20)/t9-,10-,12+/m1/s1.
What are the key properties of (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 32720606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).