4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline

C25H40N4O2 — CID 57193034

IUPAC4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline
SMILESCCCc1cc(N(CCOC)N(CCOCC)c2ccc(N)c(CCC)c2)ccc1N
InChIInChI=1S/C25H40N4O2/c1-5-8-20-18-22(10-12-24(20)26)28(14-16-30-4)29(15-17-31-7-3)23-11-13-25(27)21(19-23)9-6-2/h10-13,18-19H,5-9,14-17,26-27H2,1-4H3
InChIKeyQUEFACKJUTUFMG-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.67
Rot. Bonds14

About 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline

4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline (PubChem CID 57193034) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline.

Molecular Properties

Compound Name4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline
PubChem CID57193034
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline
SMILESCCCc1cc(N(CCOC)N(CCOCC)c2ccc(N)c(CCC)c2)ccc1N
InChIInChI=1S/C25H40N4O2/c1-5-8-20-18-22(10-12-24(20)26)28(14-16-30-4)29(15-17-31-7-3)23-11-13-25(27)21(19-23)9-6-2/h10-13,18-19H,5-9,14-17,26-27H2,1-4H3
InChIKeyQUEFACKJUTUFMG-UHFFFAOYSA-N
XLogP4.67
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline?
The IUPAC name of 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline (CID 57193034) is 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline.
What is the SMILES notation for 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline?
The canonical SMILES for 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline is CCCc1cc(N(CCOC)N(CCOCC)c2ccc(N)c(CCC)c2)ccc1N.
What is the InChIKey of 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline?
The InChIKey is QUEFACKJUTUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-5-8-20-18-22(10-12-24(20)26)28(14-16-30-4)29(15-17-31-7-3)23-11-13-25(27)21(19-23)9-6-2/h10-13,18-19H,5-9,14-17,26-27H2,1-4H3.
What are the key properties of 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline?
4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline has a molecular weight of 428.62 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline is sourced from PubChem (CID 57193034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).