1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one

C18H28N2O2 — CID 125151471

IUPAC1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H28N2O2/c1-13(2)19-11-10-17(21)20-14(3)12-22-18(15(20)4)16-8-6-5-7-9-16/h5-9,13-15,18-19H,10-12H2,1-4H3/t14-,15-,18+/m1/s1
InChIKeyJNCKAWIHCNGFQS-RKVPGOIHSA-N
MW304.43 g/mol
LogP2.75
Rot. Bonds5

About 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one

1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 125151471) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID125151471
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C18H28N2O2/c1-13(2)19-11-10-17(21)20-14(3)12-22-18(15(20)4)16-8-6-5-7-9-16/h5-9,13-15,18-19H,10-12H2,1-4H3/t14-,15-,18+/m1/s1
InChIKeyJNCKAWIHCNGFQS-RKVPGOIHSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one (CID 125151471) is 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is JNCKAWIHCNGFQS-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)19-11-10-17(21)20-14(3)12-22-18(15(20)4)16-8-6-5-7-9-16/h5-9,13-15,18-19H,10-12H2,1-4H3/t14-,15-,18+/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one?
1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 125151471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).