N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide

C35H43N5O — CID 24879319

IUPACN-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C35H43N5O/c1-25(41)40(24-12-22-37-35-28-15-4-8-19-32(28)39-33-20-9-5-16-29(33)35)23-11-10-21-36-34-26-13-2-6-17-30(26)38-31-18-7-3-14-27(31)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,38)(H,37,39)
InChIKeyGQFXELZZSUDRNE-UHFFFAOYSA-N
MW549.76 g/mol
LogP7.08
Rot. Bonds11

About N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide

N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (PubChem CID 24879319) has the molecular formula C35H43N5O and a molecular weight of 549.76 g/mol. Its IUPAC name is N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
PubChem CID24879319
Molecular FormulaC35H43N5O
Molecular Weight549.76 g/mol
Exact Mass549.35
IUPAC NameN-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C35H43N5O/c1-25(41)40(24-12-22-37-35-28-15-4-8-19-32(28)39-33-20-9-5-16-29(33)35)23-11-10-21-36-34-26-13-2-6-17-30(26)38-31-18-7-3-14-27(31)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,38)(H,37,39)
InChIKeyGQFXELZZSUDRNE-UHFFFAOYSA-N
XLogP7.08
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.76
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The IUPAC name of N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (CID 24879319) is N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.
What is the SMILES notation for N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The canonical SMILES for N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The InChIKey is GQFXELZZSUDRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O/c1-25(41)40(24-12-22-37-35-28-15-4-8-19-32(28)39-33-20-9-5-16-29(33)35)23-11-10-21-36-34-26-13-2-6-17-30(26)38-31-18-7-3-14-27(31)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,38)(H,37,39).
What are the key properties of N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide has a molecular weight of 549.76 g/mol, XLogP of 7.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is sourced from PubChem (CID 24879319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).