3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one

C23H30N2O5 — CID 16746337

IUPAC3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCOCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-24(2)17-7-5-16(6-8-17)19(15-22(27)25-9-11-30-12-10-25)23-20(26)13-18(28-3)14-21(23)29-4/h5-8,13-14,19,26H,9-12,15H2,1-4H3
InChIKeyWOIAZKBKOHORQQ-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.86
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one

3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 16746337) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID16746337
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1cc(O)c(C(CC(=O)N2CCOCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-24(2)17-7-5-16(6-8-17)19(15-22(27)25-9-11-30-12-10-25)23-20(26)13-18(28-3)14-21(23)29-4/h5-8,13-14,19,26H,9-12,15H2,1-4H3
InChIKeyWOIAZKBKOHORQQ-UHFFFAOYSA-N
XLogP2.86
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one (CID 16746337) is 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one is COc1cc(O)c(C(CC(=O)N2CCOCC2)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is WOIAZKBKOHORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-24(2)17-7-5-16(6-8-17)19(15-22(27)25-9-11-30-12-10-25)23-20(26)13-18(28-3)14-21(23)29-4/h5-8,13-14,19,26H,9-12,15H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one?
3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 414.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 16746337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).