N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride

C23H28ClN3O2 — CID 119590242

IUPACN-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H27N3O2.ClH/c24-14-19(16-8-2-1-3-9-16)25-22(27)15-26-20-12-6-4-10-17(20)23(28)18-11-5-7-13-21(18)26;/h4-7,10-13,16,19H,1-3,8-9,14-15,24H2,(H,25,27);1H
InChIKeyQKBVHMWZMLNMIR-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.60
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride (PubChem CID 119590242) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
PubChem CID119590242
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H27N3O2.ClH/c24-14-19(16-8-2-1-3-9-16)25-22(27)15-26-20-12-6-4-10-17(20)23(28)18-11-5-7-13-21(18)26;/h4-7,10-13,16,19H,1-3,8-9,14-15,24H2,(H,25,27);1H
InChIKeyQKBVHMWZMLNMIR-UHFFFAOYSA-N
XLogP3.60
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
2-(oxan-3-yl)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetic acid
CID 120548015
N-(2-amino-1-cyclopropylethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119615273
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
CID 170897060
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
N-(2-amino-1-cyclohexylethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
CID 119591908
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
CID 119591290
N-(2-amino-1-cyclohexylethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119591014
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride (CID 119590242) is N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride is Cl.NCC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The InChIKey is QKBVHMWZMLNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c24-14-19(16-8-2-1-3-9-16)25-22(27)15-26-20-12-6-4-10-17(20)23(28)18-11-5-7-13-21(18)26;/h4-7,10-13,16,19H,1-3,8-9,14-15,24H2,(H,25,27);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride is sourced from PubChem (CID 119590242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).