trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide

C20H27IN2O — CID 171150496

IUPACtrimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide
SMILESCC(Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1.[I-]
InChIInChI=1S/C20H26N2O.HI/c1-16(14-17-8-6-5-7-9-17)21-20(23)15-18-10-12-19(13-11-18)22(2,3)4;/h5-13,16H,14-15H2,1-4H3;1H
InChIKeyAMMNNOZZOHRIFJ-UHFFFAOYSA-N
MW438.35 g/mol
LogP0.18
Rot. Bonds6

About trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide

trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide (PubChem CID 171150496) has the molecular formula C20H27IN2O and a molecular weight of 438.35 g/mol. Its IUPAC name is trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide
PubChem CID171150496
Molecular FormulaC20H27IN2O
Molecular Weight438.35 g/mol
Exact Mass438.12
IUPAC Nametrimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide
SMILESCC(Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1.[I-]
InChIInChI=1S/C20H26N2O.HI/c1-16(14-17-8-6-5-7-9-17)21-20(23)15-18-10-12-19(13-11-18)22(2,3)4;/h5-13,16H,14-15H2,1-4H3;1H
InChIKeyAMMNNOZZOHRIFJ-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide 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

N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 144699390
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-(3-hydroxy-4-phenylbutan-2-yl)-2-(4-phenylphenyl)acetamide
CID 75386489
3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119220881
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide?
The IUPAC name of trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide (CID 171150496) is trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide.
What is the SMILES notation for trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide?
The canonical SMILES for trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide is CC(Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1.[I-].
What is the InChIKey of trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide?
The InChIKey is AMMNNOZZOHRIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.HI/c1-16(14-17-8-6-5-7-9-17)21-20(23)15-18-10-12-19(13-11-18)22(2,3)4;/h5-13,16H,14-15H2,1-4H3;1H.
What are the key properties of trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide?
trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide has a molecular weight of 438.35 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]phenyl]azanium iodide is sourced from PubChem (CID 171150496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).