4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride

C30H41ClN4O — CID 122185543

IUPAC4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H
InChIKeyJQMMSKMSQKBRKA-UHFFFAOYSA-N
MW509.14 g/mol
LogP6.78
Rot. Bonds12

About 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride

4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride (PubChem CID 122185543) has the molecular formula C30H41ClN4O and a molecular weight of 509.14 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride
PubChem CID122185543
Molecular FormulaC30H41ClN4O
Molecular Weight509.14 g/mol
Exact Mass508.30
IUPAC Name4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H
InChIKeyJQMMSKMSQKBRKA-UHFFFAOYSA-N
XLogP6.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.14
LogP ≤ 56.78
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-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride (CID 122185543) is 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride is CN(C)c1ccc(C(=O)NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride?
The InChIKey is JQMMSKMSQKBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H.
What are the key properties of 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride?
4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride has a molecular weight of 509.14 g/mol, XLogP of 6.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride is sourced from PubChem (CID 122185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).