2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one

C24H34N2O2 — CID 139417323

IUPAC2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one
SMILESCCOCCN(C)c1ccc(C(=O)C(CC)(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C24H34N2O2/c1-6-24(25(3)4,19-20-11-9-8-10-12-20)23(27)21-13-15-22(16-14-21)26(5)17-18-28-7-2/h8-16H,6-7,17-19H2,1-5H3
InChIKeyWRHUOWQSIDMYCG-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.30
Rot. Bonds11

About 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one

2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one (PubChem CID 139417323) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one
PubChem CID139417323
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one
SMILESCCOCCN(C)c1ccc(C(=O)C(CC)(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C24H34N2O2/c1-6-24(25(3)4,19-20-11-9-8-10-12-20)23(27)21-13-15-22(16-14-21)26(5)17-18-28-7-2/h8-16H,6-7,17-19H2,1-5H3
InChIKeyWRHUOWQSIDMYCG-UHFFFAOYSA-N
XLogP4.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-2-(dimethylamino)-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;methane
CID 158870745
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one
CID 143086389
2-benzyl-2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one;1,1-dichloroethane
CID 158663548
2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one
CID 19049465
2-benzyl-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)phenyl]butan-1-one
CID 155346752
2-[3-[4-[2-benzyl-2-(dimethylamino)butanoyl]phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755063
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063
3-[4-[4-[2-benzyl-2-(dimethylamino)butanoyl]phenyl]piperazin-1-yl]propanal
CID 138623146
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one?
The IUPAC name of 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one (CID 139417323) is 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one.
What is the SMILES notation for 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one?
The canonical SMILES for 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one is CCOCCN(C)c1ccc(C(=O)C(CC)(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one?
The InChIKey is WRHUOWQSIDMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-6-24(25(3)4,19-20-11-9-8-10-12-20)23(27)21-13-15-22(16-14-21)26(5)17-18-28-7-2/h8-16H,6-7,17-19H2,1-5H3.
What are the key properties of 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one?
2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one has a molecular weight of 382.55 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one is sourced from PubChem (CID 139417323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).