N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide

C16H22N2O3 — CID 99788405

IUPACN-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)c1ccccc1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(10-12(2)21-11)16(17-13(3)19)15(20)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,19)/t11-,12-,16+/m0/s1
InChIKeyNKULSGQKJLUDRX-MQIPJXDCSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds4

About N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide

N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide (PubChem CID 99788405) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide
PubChem CID99788405
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)c1ccccc1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(10-12(2)21-11)16(17-13(3)19)15(20)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,19)/t11-,12-,16+/m0/s1
InChIKeyNKULSGQKJLUDRX-MQIPJXDCSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide?
The IUPAC name of N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide (CID 99788405) is N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide is CC(=O)N[C@@H](C(=O)c1ccccc1)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide?
The InChIKey is NKULSGQKJLUDRX-MQIPJXDCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-18(10-12(2)21-11)16(17-13(3)19)15(20)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,17,19)/t11-,12-,16+/m0/s1.
What are the key properties of N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide?
N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide is sourced from PubChem (CID 99788405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).