2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one

C23H32N2O2 — CID 19049465

IUPAC2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(NCCCOC)cc1)N(C)C
InChIInChI=1S/C23H32N2O2/c1-5-23(25(2)3,18-19-10-7-6-8-11-19)22(26)20-12-14-21(15-13-20)24-16-9-17-27-4/h6-8,10-15,24H,5,9,16-18H2,1-4H3
InChIKeyGUPIQVWYXUNRIE-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.27
Rot. Bonds11

About 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one

2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one (PubChem CID 19049465) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one
PubChem CID19049465
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(NCCCOC)cc1)N(C)C
InChIInChI=1S/C23H32N2O2/c1-5-23(25(2)3,18-19-10-7-6-8-11-19)22(26)20-12-14-21(15-13-20)24-16-9-17-27-4/h6-8,10-15,24H,5,9,16-18H2,1-4H3
InChIKeyGUPIQVWYXUNRIE-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-fluorophenyl)butan-1-one;1,1-dichloroethane
CID 158663548
1-[4-[4-acetyl-2-(3-methoxypropyl)pyrrol-2-yl]phenyl]-2-benzyl-2-(dimethylamino)butan-1-one
CID 57323188
2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one
CID 139417323
4-(4-methoxybutylamino)benzoic acid
CID 62232205
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
2-[3-[4-[2-benzyl-2-(dimethylamino)butanoyl]phenyl]sulfanylpropylsulfanylmethyl]prop-2-enoic acid
CID 18755063
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
N-(4-methoxybutyl)aniline
CID 13042774
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 54835535
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one?
The IUPAC name of 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one (CID 19049465) is 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one.
What is the SMILES notation for 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one?
The canonical SMILES for 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one is CCC(Cc1ccccc1)(C(=O)c1ccc(NCCCOC)cc1)N(C)C.
What is the InChIKey of 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one?
The InChIKey is GUPIQVWYXUNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-5-23(25(2)3,18-19-10-7-6-8-11-19)22(26)20-12-14-21(15-13-20)24-16-9-17-27-4/h6-8,10-15,24H,5,9,16-18H2,1-4H3.
What are the key properties of 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one?
2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one has a molecular weight of 368.52 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylamino)-1-[4-(3-methoxypropylamino)phenyl]butan-1-one is sourced from PubChem (CID 19049465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).