[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone

C19H28N2O3 — CID 99828580

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(NCC[C@@H]3CCCO3)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)24-14)19(22)16-5-7-17(8-6-16)20-10-9-18-4-3-11-23-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15-,18+/m1/s1
InChIKeySXEYODCZKSLQMC-RKVPGOIHSA-N
MW332.44 g/mol
LogP2.92
Rot. Bonds5

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone (PubChem CID 99828580) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
PubChem CID99828580
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(NCC[C@@H]3CCCO3)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)24-14)19(22)16-5-7-17(8-6-16)20-10-9-18-4-3-11-23-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15-,18+/m1/s1
InChIKeySXEYODCZKSLQMC-RKVPGOIHSA-N
XLogP2.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
CID 60538842
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
(2,6-dimethylmorpholin-4-yl)-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanone
CID 71972923

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone (CID 99828580) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(NCC[C@@H]3CCCO3)cc2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone?
The InChIKey is SXEYODCZKSLQMC-RKVPGOIHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)24-14)19(22)16-5-7-17(8-6-16)20-10-9-18-4-3-11-23-18/h5-8,14-15,18,20H,3-4,9-13H2,1-2H3/t14-,15-,18+/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone has a molecular weight of 332.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone is sourced from PubChem (CID 99828580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).