4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride

C31H43ClN4O — CID 122185545

IUPAC4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H
InChIKeyKGNOCGDSAXDLPI-UHFFFAOYSA-N
MW523.17 g/mol
LogP7.17
Rot. Bonds13

About 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride

4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride (PubChem CID 122185545) has the molecular formula C31H43ClN4O and a molecular weight of 523.17 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride
PubChem CID122185545
Molecular FormulaC31H43ClN4O
Molecular Weight523.17 g/mol
Exact Mass522.31
IUPAC Name4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H
InChIKeyKGNOCGDSAXDLPI-UHFFFAOYSA-N
XLogP7.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.17
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride (CID 122185545) is 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride is CN(C)c1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride?
The InChIKey is KGNOCGDSAXDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H.
What are the key properties of 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride?
4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride has a molecular weight of 523.17 g/mol, XLogP of 7.17, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride is sourced from PubChem (CID 122185545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).