N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide

C19H27N3O2 — CID 98799581

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)19(4,13-20)21-18(23)11-22-10-15(3)24-12-17(22)16-8-6-5-7-9-16/h5-9,14-15,17H,10-12H2,1-4H3,(H,21,23)/t15-,17-,19+/m1/s1
InChIKeyONPXNBAETIIPDJ-SUMDDJOVSA-N
MW329.44 g/mol
LogP2.50
Rot. Bonds5

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide (PubChem CID 98799581) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide
PubChem CID98799581
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)19(4,13-20)21-18(23)11-22-10-15(3)24-12-17(22)16-8-6-5-7-9-16/h5-9,14-15,17H,10-12H2,1-4H3,(H,21,23)/t15-,17-,19+/m1/s1
InChIKeyONPXNBAETIIPDJ-SUMDDJOVSA-N
XLogP2.50
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide (CID 98799581) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide?
The InChIKey is ONPXNBAETIIPDJ-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)19(4,13-20)21-18(23)11-22-10-15(3)24-12-17(22)16-8-6-5-7-9-16/h5-9,14-15,17H,10-12H2,1-4H3,(H,21,23)/t15-,17-,19+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide is sourced from PubChem (CID 98799581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).