[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

C21H26N2O3 — CID 25283547

IUPAC[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@@H]2CN(C(=O)c3ccccc3N(C)C)CCO2)c1
InChIInChI=1S/C21H26N2O3/c1-22(2)20-10-5-4-9-19(20)21(24)23-11-12-26-18(15-23)14-16-7-6-8-17(13-16)25-3/h4-10,13,18H,11-12,14-15H2,1-3H3/t18-/m1/s1
InChIKeyYMZVSARYSAZQFI-GOSISDBHSA-N
MW354.45 g/mol
LogP2.84
Rot. Bonds5

About [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 25283547) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
PubChem CID25283547
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@@H]2CN(C(=O)c3ccccc3N(C)C)CCO2)c1
InChIInChI=1S/C21H26N2O3/c1-22(2)20-10-5-4-9-19(20)21(24)23-11-12-26-18(15-23)14-16-7-6-8-17(13-16)25-3/h4-10,13,18H,11-12,14-15H2,1-3H3/t18-/m1/s1
InChIKeyYMZVSARYSAZQFI-GOSISDBHSA-N
XLogP2.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (CID 25283547) is [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is COc1cccc(C[C@@H]2CN(C(=O)c3ccccc3N(C)C)CCO2)c1.
What is the InChIKey of [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is YMZVSARYSAZQFI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22(2)20-10-5-4-9-19(20)21(24)23-11-12-26-18(15-23)14-16-7-6-8-17(13-16)25-3/h4-10,13,18H,11-12,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 25283547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).