N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide

C24H34N4O4 — CID 56968146

IUPACN-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(CCN)CCNC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H34N4O4/c1-31-21-7-3-19(4-8-21)17-23(29)26-12-15-28(14-11-25)16-13-27-24(30)18-20-5-9-22(32-2)10-6-20/h3-10H,11-18,25H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZTPHUIWLLCNOEJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP0.98
Rot. Bonds14

About N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 56968146) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID56968146
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(CCN)CCNC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H34N4O4/c1-31-21-7-3-19(4-8-21)17-23(29)26-12-15-28(14-11-25)16-13-27-24(30)18-20-5-9-22(32-2)10-6-20/h3-10H,11-18,25H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZTPHUIWLLCNOEJ-UHFFFAOYSA-N
XLogP0.98
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide (CID 56968146) is N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(CCN)CCNC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZTPHUIWLLCNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-31-21-7-3-19(4-8-21)17-23(29)26-12-15-28(14-11-25)16-13-27-24(30)18-20-5-9-22(32-2)10-6-20/h3-10H,11-18,25H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 0.98, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 56968146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).