cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium

C21H27N2O+ — CID 2536830

IUPACcyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C21H26N2O/c1-23(20-10-6-3-7-11-20)16-21(24)22-19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3,(H,22,24)/p+1
InChIKeyXGMXBPVTZFGGRJ-UHFFFAOYSA-O
MW323.46 g/mol
LogP3.14
Rot. Bonds5

About cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium

cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium (PubChem CID 2536830) has the molecular formula C21H27N2O+ and a molecular weight of 323.46 g/mol. Its IUPAC name is cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
PubChem CID2536830
Molecular FormulaC21H27N2O+
Molecular Weight323.46 g/mol
Exact Mass323.21
IUPAC Namecyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C21H26N2O/c1-23(20-10-6-3-7-11-20)16-21(24)22-19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3,(H,22,24)/p+1
InChIKeyXGMXBPVTZFGGRJ-UHFFFAOYSA-O
XLogP3.14
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049397
[2-[4-(dimethylamino)anilino]-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 2095189
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-(4-phenylphenyl)-2-piperidin-4-ylacetamide
CID 67362104
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
N-(4-phenylphenyl)acetamide
CID 19998
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(4-phenylphenyl)acetamide
CID 126799212
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The IUPAC name of cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium (CID 2536830) is cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium.
What is the SMILES notation for cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The canonical SMILES for cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The InChIKey is XGMXBPVTZFGGRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O/c1-23(20-10-6-3-7-11-20)16-21(24)22-19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3,(H,22,24)/p+1.
What are the key properties of cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium has a molecular weight of 323.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium is sourced from PubChem (CID 2536830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).