[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone

C21H25NO4 — CID 41292535

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15-12-22(13-16(2)26-15)21(23)18-9-10-19(20(11-18)24-3)25-14-17-7-5-4-6-8-17/h4-11,15-16H,12-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyDDHNYUKEVRNSML-HOTGVXAUSA-N
MW355.43 g/mol
LogP3.52
Rot. Bonds5

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone (PubChem CID 41292535) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
PubChem CID41292535
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15-12-22(13-16(2)26-15)21(23)18-9-10-19(20(11-18)24-3)25-14-17-7-5-4-6-8-17/h4-11,15-16H,12-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyDDHNYUKEVRNSML-HOTGVXAUSA-N
XLogP3.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
N-benzyl-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-2-methoxyphenoxy]acetamide
CID 126241124
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647307
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
(3-methoxy-4-phenylmethoxyphenyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55975841
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone (CID 41292535) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone is COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The InChIKey is DDHNYUKEVRNSML-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-12-22(13-16(2)26-15)21(23)18-9-10-19(20(11-18)24-3)25-14-17-7-5-4-6-8-17/h4-11,15-16H,12-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone has a molecular weight of 355.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 41292535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).