benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium

C23H26N3O+ — CID 2443760

IUPACbenzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
SMILESCN(C)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O/c1-26(2)21-15-13-20(14-16-21)25-22(27)17-24-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23-24H,17H2,1-2H3,(H,25,27)/p+1
InChIKeyPDIHOHCUUHYELD-UHFFFAOYSA-O
MW360.48 g/mol
LogP3.04
Rot. Bonds7

About benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium

benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium (PubChem CID 2443760) has the molecular formula C23H26N3O+ and a molecular weight of 360.48 g/mol. Its IUPAC name is benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
PubChem CID2443760
Molecular FormulaC23H26N3O+
Molecular Weight360.48 g/mol
Exact Mass360.21
IUPAC Namebenzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
SMILESCN(C)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O/c1-26(2)21-15-13-20(14-16-21)25-22(27)17-24-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23-24H,17H2,1-2H3,(H,25,27)/p+1
InChIKeyPDIHOHCUUHYELD-UHFFFAOYSA-O
XLogP3.04
TPSA48.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
CID 7999776
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
CID 2549153
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium (CID 2443760) is benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium is CN(C)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium?
The InChIKey is PDIHOHCUUHYELD-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O/c1-26(2)21-15-13-20(14-16-21)25-22(27)17-24-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23-24H,17H2,1-2H3,(H,25,27)/p+1.
What are the key properties of benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium?
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium has a molecular weight of 360.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 2443760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).