(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

C21H25NO3 — CID 42344181

IUPAC(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CCO2)c1
InChIInChI=1S/C21H25NO3/c1-15-7-8-18(11-16(15)2)21(23)22-9-10-25-20(14-22)13-17-5-4-6-19(12-17)24-3/h4-8,11-12,20H,9-10,13-14H2,1-3H3/t20-/m1/s1
InChIKeyDJKMKJQKZJUSFJ-HXUWFJFHSA-N
MW339.44 g/mol
LogP3.40
Rot. Bonds4

About (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 42344181) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
PubChem CID42344181
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CCO2)c1
InChIInChI=1S/C21H25NO3/c1-15-7-8-18(11-16(15)2)21(23)22-9-10-25-20(14-22)13-17-5-4-6-19(12-17)24-3/h4-8,11-12,20H,9-10,13-14H2,1-3H3/t20-/m1/s1
InChIKeyDJKMKJQKZJUSFJ-HXUWFJFHSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
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
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (CID 42344181) is (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is COc1cccc(C[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CCO2)c1.
What is the InChIKey of (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is DJKMKJQKZJUSFJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-7-8-18(11-16(15)2)21(23)22-9-10-25-20(14-22)13-17-5-4-6-19(12-17)24-3/h4-8,11-12,20H,9-10,13-14H2,1-3H3/t20-/m1/s1.
What are the key properties of (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42344181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).