2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one

C26H36N2O4 — CID 175078141

IUPAC2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(Cc1ccc(OCCOC)cc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C
InChIInChI=1S/C26H36N2O4/c1-5-26(28(2)3,18-20-6-12-23(13-7-20)31-17-16-30-4)25(29)22-10-8-21(9-11-22)24-19-27-14-15-32-24/h6-13,24,27H,5,14-19H2,1-4H3
InChIKeyKQWATVXTZKBHFY-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.51
Rot. Bonds11

About 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one

2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one (PubChem CID 175078141) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
PubChem CID175078141
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(Cc1ccc(OCCOC)cc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C
InChIInChI=1S/C26H36N2O4/c1-5-26(28(2)3,18-20-6-12-23(13-7-20)31-17-16-30-4)25(29)22-10-8-21(9-11-22)24-19-27-14-15-32-24/h6-13,24,27H,5,14-19H2,1-4H3
InChIKeyKQWATVXTZKBHFY-UHFFFAOYSA-N
XLogP3.51
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-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

2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585
2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
2-benzyl-2-(dimethylamino)-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;methane
CID 158870745
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174869251
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one
CID 175227681

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one (CID 175078141) is 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one is CCC(Cc1ccc(OCCOC)cc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one?
The InChIKey is KQWATVXTZKBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-5-26(28(2)3,18-20-6-12-23(13-7-20)31-17-16-30-4)25(29)22-10-8-21(9-11-22)24-19-27-14-15-32-24/h6-13,24,27H,5,14-19H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one?
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one has a molecular weight of 440.58 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one is sourced from PubChem (CID 175078141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).