N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide

C26H30ClN3O — CID 73345951

IUPACN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCCN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
InChIInChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-24-22(17-20)25(27)21-11-6-7-12-23(21)29-24/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31)
InChIKeyUFUHGICPAGBHCV-UHFFFAOYSA-N
MW436.00 g/mol
LogP5.41
Rot. Bonds8

About N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide

N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 73345951) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID73345951
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCCN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1
InChIInChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-24-22(17-20)25(27)21-11-6-7-12-23(21)29-24/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31)
InChIKeyUFUHGICPAGBHCV-UHFFFAOYSA-N
XLogP5.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 73345951) is N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide is CCN(CCCNC(=O)c1ccc2nc3c(c(Cl)c2c1)CCCC3)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is UFUHGICPAGBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-24-22(17-20)25(27)21-11-6-7-12-23(21)29-24/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31).
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide?
N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 436.00 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 73345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).