3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

C17H25NO5 — CID 112531966

IUPAC3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCOc1ccc(CC(C)C(=O)N2CCOCC2CO)cc1OC
InChIInChI=1S/C17H25NO5/c1-12(17(20)18-6-7-23-11-14(18)10-19)8-13-4-5-15(21-2)16(9-13)22-3/h4-5,9,12,14,19H,6-8,10-11H2,1-3H3
InChIKeyZDFCSEQFQQSSJE-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.10
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 112531966) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID112531966
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCOc1ccc(CC(C)C(=O)N2CCOCC2CO)cc1OC
InChIInChI=1S/C17H25NO5/c1-12(17(20)18-6-7-23-11-14(18)10-19)8-13-4-5-15(21-2)16(9-13)22-3/h4-5,9,12,14,19H,6-8,10-11H2,1-3H3
InChIKeyZDFCSEQFQQSSJE-UHFFFAOYSA-N
XLogP1.10
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
CID 112531529
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 84575608
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate
CID 112531591
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
[(3S)-4-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]morpholin-3-yl]methanol
CID 99936916

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (CID 112531966) is 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is COc1ccc(CC(C)C(=O)N2CCOCC2CO)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is ZDFCSEQFQQSSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12(17(20)18-6-7-23-11-14(18)10-19)8-13-4-5-15(21-2)16(9-13)22-3/h4-5,9,12,14,19H,6-8,10-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 323.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 112531966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).