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

C21H29N2O+ — CID 4173131

IUPACdiethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(6-2)20(18-10-8-7-9-11-18)21(24)22-19-14-12-17(13-15-19)16(3)4/h7-16,20H,5-6H2,1-4H3,(H,22,24)/p+1
InChIKeyCQNIOTWXQDXZCG-UHFFFAOYSA-O
MW325.48 g/mol
LogP3.41
Rot. Bonds7

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

diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium (PubChem CID 4173131) has the molecular formula C21H29N2O+ and a molecular weight of 325.48 g/mol. Its IUPAC name is diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
PubChem CID4173131
Molecular FormulaC21H29N2O+
Molecular Weight325.48 g/mol
Exact Mass325.23
IUPAC Namediethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(6-2)20(18-10-8-7-9-11-18)21(24)22-19-14-12-17(13-15-19)16(3)4/h7-16,20H,5-6H2,1-4H3,(H,22,24)/p+1
InChIKeyCQNIOTWXQDXZCG-UHFFFAOYSA-O
XLogP3.41
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173058
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
(2S)-2-(diethylazaniumyl)-2-phenylacetate
CID 6965687
2-(N-methylanilino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130020
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium (CID 4173131) is diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium is CC[NH+](CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
The InChIKey is CQNIOTWXQDXZCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O/c1-5-23(6-2)20(18-10-8-7-9-11-18)21(24)22-19-14-12-17(13-15-19)16(3)4/h7-16,20H,5-6H2,1-4H3,(H,22,24)/p+1.
What are the key properties of diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium?
diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium has a molecular weight of 325.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 4173131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).