N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride

C22H26ClN3O2 — CID 119610481

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O2.ClH/c23-13-15-7-1-4-10-18(15)24-21(26)14-25-19-11-5-2-8-16(19)22(27)17-9-3-6-12-20(17)25;/h2-3,5-6,8-9,11-12,15,18H,1,4,7,10,13-14,23H2,(H,24,26);1H
InChIKeyBVUAZSKLYXCKNW-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride (PubChem CID 119610481) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
PubChem CID119610481
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O2.ClH/c23-13-15-7-1-4-10-18(15)24-21(26)14-25-19-11-5-2-8-16(19)22(27)17-9-3-6-12-20(17)25;/h2-3,5-6,8-9,11-12,15,18H,1,4,7,10,13-14,23H2,(H,24,26);1H
InChIKeyBVUAZSKLYXCKNW-UHFFFAOYSA-N
XLogP3.21
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.21
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-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
CID 119610899
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119590242
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119632340
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119603819
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride (CID 119610481) is N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
The InChIKey is BVUAZSKLYXCKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c23-13-15-7-1-4-10-18(15)24-21(26)14-25-19-11-5-2-8-16(19)22(27)17-9-3-6-12-20(17)25;/h2-3,5-6,8-9,11-12,15,18H,1,4,7,10,13-14,23H2,(H,24,26);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride is sourced from PubChem (CID 119610481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).