dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium

C19H25N2O+ — CID 4173058

IUPACdimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccc(NC(=O)C(c2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)15-10-12-17(13-11-15)20-19(22)18(21(3)4)16-8-6-5-7-9-16/h5-14,18H,1-4H3,(H,20,22)/p+1
InChIKeyBGNZIPGBDZNJCT-UHFFFAOYSA-O
MW297.42 g/mol
LogP2.63
Rot. Bonds5

About dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium

dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium (PubChem CID 4173058) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
PubChem CID4173058
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Namedimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccc(NC(=O)C(c2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)15-10-12-17(13-11-15)20-19(22)18(21(3)4)16-8-6-5-7-9-16/h5-14,18H,1-4H3,(H,20,22)/p+1
InChIKeyBGNZIPGBDZNJCT-UHFFFAOYSA-O
XLogP2.63
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173131
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-dimethylazanium
CID 2108164
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
2-(N-methylanilino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130020
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium (CID 4173058) is dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium is CC(C)c1ccc(NC(=O)C(c2ccccc2)[NH+](C)C)cc1.
What is the InChIKey of dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The InChIKey is BGNZIPGBDZNJCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-14(2)15-10-12-17(13-11-15)20-19(22)18(21(3)4)16-8-6-5-7-9-16/h5-14,18H,1-4H3,(H,20,22)/p+1.
What are the key properties of dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium has a molecular weight of 297.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 4173058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).