[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone

C21H26N2O2 — CID 25274863

IUPAC[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-22(2)19-10-6-9-18(15-19)21(24)23-13-14-25-20(16-23)12-11-17-7-4-3-5-8-17/h3-10,15,20H,11-14,16H2,1-2H3/t20-/m0/s1
InChIKeyCQUFLOZVMXDBTD-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds5

About [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone

[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone (PubChem CID 25274863) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
PubChem CID25274863
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-22(2)19-10-6-9-18(15-19)21(24)23-13-14-25-20(16-23)12-11-17-7-4-3-5-8-17/h3-10,15,20H,11-14,16H2,1-2H3/t20-/m0/s1
InChIKeyCQUFLOZVMXDBTD-FQEVSTJZSA-N
XLogP3.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 45193768
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone (CID 25274863) is [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone is CN(C)c1cccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The InChIKey is CQUFLOZVMXDBTD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)19-10-6-9-18(15-19)21(24)23-13-14-25-20(16-23)12-11-17-7-4-3-5-8-17/h3-10,15,20H,11-14,16H2,1-2H3/t20-/m0/s1.
What are the key properties of [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 25274863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).