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

C18H28N2O2 — CID 99819793

IUPAC(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H28N2O2/c1-13(17-8-6-5-7-9-17)10-19-18(21)16(4)20-11-14(2)22-15(3)12-20/h5-9,13-16H,10-12H2,1-4H3,(H,19,21)/t13-,14-,15+,16-/m0/s1
InChIKeyWYWRSQFEKYSKCP-JONQDZQNSA-N
MW304.43 g/mol
LogP2.40
Rot. Bonds5

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

(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 99819793) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID99819793
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H28N2O2/c1-13(17-8-6-5-7-9-17)10-19-18(21)16(4)20-11-14(2)22-15(3)12-20/h5-9,13-16H,10-12H2,1-4H3,(H,19,21)/t13-,14-,15+,16-/m0/s1
InChIKeyWYWRSQFEKYSKCP-JONQDZQNSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27633039
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide
CID 86984625
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27132550
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111343423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide (CID 99819793) is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide is C[C@@H]1CN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is WYWRSQFEKYSKCP-JONQDZQNSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(17-8-6-5-7-9-17)10-19-18(21)16(4)20-11-14(2)22-15(3)12-20/h5-9,13-16H,10-12H2,1-4H3,(H,19,21)/t13-,14-,15+,16-/m0/s1.
What are the key properties of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide?
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 99819793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).