N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide

C32H36N6O2 — CID 24749811

IUPACN,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide
SMILESO=C(NCCNc1c2c(nc3ccccc13)CCCC2)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C32H36N6O2/c39-31(35-19-17-33-29-21-9-1-5-13-25(21)37-26-14-6-2-10-22(26)29)32(40)36-20-18-34-30-23-11-3-7-15-27(23)38-28-16-8-4-12-24(28)30/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-20H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyWLFOCPXAEKVJHV-UHFFFAOYSA-N
MW536.68 g/mol
LogP4.30
Rot. Bonds8

About N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide

N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide (PubChem CID 24749811) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide
PubChem CID24749811
Molecular FormulaC32H36N6O2
Molecular Weight536.68 g/mol
Exact Mass536.29
IUPAC NameN,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide
SMILESO=C(NCCNc1c2c(nc3ccccc13)CCCC2)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C32H36N6O2/c39-31(35-19-17-33-29-21-9-1-5-13-25(21)37-26-14-6-2-10-22(26)29)32(40)36-20-18-34-30-23-11-3-7-15-27(23)38-28-16-8-4-12-24(28)30/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-20H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyWLFOCPXAEKVJHV-UHFFFAOYSA-N
XLogP4.30
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.68
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide?
The IUPAC name of N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide (CID 24749811) is N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide.
What is the SMILES notation for N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide?
The canonical SMILES for N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide is O=C(NCCNc1c2c(nc3ccccc13)CCCC2)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide?
The InChIKey is WLFOCPXAEKVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2/c39-31(35-19-17-33-29-21-9-1-5-13-25(21)37-26-14-6-2-10-22(26)29)32(40)36-20-18-34-30-23-11-3-7-15-27(23)38-28-16-8-4-12-24(28)30/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-20H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40).
What are the key properties of N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide?
N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide has a molecular weight of 536.68 g/mol, XLogP of 4.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]oxamide is sourced from PubChem (CID 24749811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).