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

C34H41N5O — CID 10324875

IUPACN,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38)
InChIKeyASJWTFGEQQPABS-UHFFFAOYSA-N
MW535.74 g/mol
LogP6.69
Rot. Bonds10

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

N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (PubChem CID 10324875) has the molecular formula C34H41N5O and a molecular weight of 535.74 g/mol. Its IUPAC name is N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.

Molecular Properties

Compound NameN,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
PubChem CID10324875
Molecular FormulaC34H41N5O
Molecular Weight535.74 g/mol
Exact Mass535.33
IUPAC NameN,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38)
InChIKeyASJWTFGEQQPABS-UHFFFAOYSA-N
XLogP6.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The IUPAC name of N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (CID 10324875) is N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.
What is the SMILES notation for N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The canonical SMILES for N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is CC(=O)N(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The InChIKey is ASJWTFGEQQPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38).
What are the key properties of N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide has a molecular weight of 535.74 g/mol, XLogP of 6.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is sourced from PubChem (CID 10324875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).