(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride

C22H30ClN3O2 — CID 172954730

IUPAC(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCCCCCCCc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H29N3O2.ClH/c26-22(16-24-27)23-15-9-3-1-2-4-10-17-18-11-5-7-13-20(18)25-21-14-8-6-12-19(17)21;/h5,7,11,13,16,27H,1-4,6,8-10,12,14-15H2,(H,23,26);1H/b24-16+;
InChIKeyKGPDVXCUTUVHQQ-RSOFWHLMSA-N
MW403.95 g/mol
LogP4.60
Rot. Bonds9

About (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride

(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride (PubChem CID 172954730) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride
PubChem CID172954730
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCCCCCCCc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H29N3O2.ClH/c26-22(16-24-27)23-15-9-3-1-2-4-10-17-18-11-5-7-13-20(18)25-21-14-8-6-12-19(17)21;/h5,7,11,13,16,27H,1-4,6,8-10,12,14-15H2,(H,23,26);1H/b24-16+;
InChIKeyKGPDVXCUTUVHQQ-RSOFWHLMSA-N
XLogP4.60
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride 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

(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride
CID 172962404
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
(2E,4E)-5-phenyl-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]penta-2,4-dienamide
CID 122387165
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide
CID 155666132
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride?
The IUPAC name of (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride (CID 172954730) is (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride?
The canonical SMILES for (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride is Cl.O=C(/C=N/O)NCCCCCCCc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride?
The InChIKey is KGPDVXCUTUVHQQ-RSOFWHLMSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c26-22(16-24-27)23-15-9-3-1-2-4-10-17-18-11-5-7-13-20(18)25-21-14-8-6-12-19(17)21;/h5,7,11,13,16,27H,1-4,6,8-10,12,14-15H2,(H,23,26);1H/b24-16+;.
What are the key properties of (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride?
(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride is sourced from PubChem (CID 172954730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).