(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride

C20H26ClN3O2 — CID 172962404

IUPAC(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCCCCCc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H25N3O2.ClH/c24-20(14-22-25)21-13-7-1-2-8-15-16-9-3-5-11-18(16)23-19-12-6-4-10-17(15)19;/h3,5,9,11,14,25H,1-2,4,6-8,10,12-13H2,(H,21,24);1H/b22-14+;
InChIKeyHROSCQUHNCUWLZ-CWUUNJJBSA-N
MW375.90 g/mol
LogP3.82
Rot. Bonds7

About (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride

(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride (PubChem CID 172962404) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride
PubChem CID172962404
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride
SMILESCl.O=C(/C=N/O)NCCCCCc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H25N3O2.ClH/c24-20(14-22-25)21-13-7-1-2-8-15-16-9-3-5-11-18(16)23-19-12-6-4-10-17(15)19;/h3,5,9,11,14,25H,1-2,4,6-8,10,12-13H2,(H,21,24);1H/b22-14+;
InChIKeyHROSCQUHNCUWLZ-CWUUNJJBSA-N
XLogP3.82
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.82
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'}

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Related Compounds

(2E)-2-hydroxyimino-N-[7-(1,2,3,4-tetrahydroacridin-9-yl)heptyl]acetamide;hydrochloride
CID 172954730
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-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride?
The IUPAC name of (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride (CID 172962404) is (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride?
The canonical SMILES for (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride is Cl.O=C(/C=N/O)NCCCCCc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride?
The InChIKey is HROSCQUHNCUWLZ-CWUUNJJBSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c24-20(14-22-25)21-13-7-1-2-8-15-16-9-3-5-11-18(16)23-19-12-6-4-10-17(15)19;/h3,5,9,11,14,25H,1-2,4,6-8,10,12-13H2,(H,21,24);1H/b22-14+;.
What are the key properties of (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride?
(2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[5-(1,2,3,4-tetrahydroacridin-9-yl)pentyl]acetamide;hydrochloride is sourced from PubChem (CID 172962404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).