2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide

C25H51N3O6 — CID 158770809

IUPAC2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide
SMILESCCCCOCCN(CCOCCCC(C)C)CCOCCOCCCC(=O)CNC(=O)CN
InChIInChI=1S/C25H51N3O6/c1-4-5-13-31-16-10-28(11-17-32-14-6-8-23(2)3)12-18-34-20-19-33-15-7-9-24(29)22-27-25(30)21-26/h23H,4-22,26H2,1-3H3,(H,27,30)
InChIKeySJWPSTCKOVWXBX-UHFFFAOYSA-N
MW489.70 g/mol
LogP2.02
Rot. Bonds26

About 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide

2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide (PubChem CID 158770809) has the molecular formula C25H51N3O6 and a molecular weight of 489.70 g/mol. Its IUPAC name is 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide
PubChem CID158770809
Molecular FormulaC25H51N3O6
Molecular Weight489.70 g/mol
Exact Mass489.38
IUPAC Name2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide
SMILESCCCCOCCN(CCOCCCC(C)C)CCOCCOCCCC(=O)CNC(=O)CN
InChIInChI=1S/C25H51N3O6/c1-4-5-13-31-16-10-28(11-17-32-14-6-8-23(2)3)12-18-34-20-19-33-15-7-9-24(29)22-27-25(30)21-26/h23H,4-22,26H2,1-3H3,(H,27,30)
InChIKeySJWPSTCKOVWXBX-UHFFFAOYSA-N
XLogP2.02
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.70
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
1-(3-methylbutoxy)heptan-4-one
CID 61484387
4-(4-methylpentoxy)butanehydrazide
CID 63575354
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
CID 170012060
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
CID 153389526
N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 167615688
1-bromo-7-[2-(2-butoxyethoxy)ethoxy]heptan-4-one
CID 106798945

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide?
The IUPAC name of 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide (CID 158770809) is 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide?
The canonical SMILES for 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide is CCCCOCCN(CCOCCCC(C)C)CCOCCOCCCC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide?
The InChIKey is SJWPSTCKOVWXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3O6/c1-4-5-13-31-16-10-28(11-17-32-14-6-8-23(2)3)12-18-34-20-19-33-15-7-9-24(29)22-27-25(30)21-26/h23H,4-22,26H2,1-3H3,(H,27,30).
What are the key properties of 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide?
2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide has a molecular weight of 489.70 g/mol, XLogP of 2.02, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[2-[2-[2-butoxyethyl-[2-(4-methylpentoxy)ethyl]amino]ethoxy]ethoxy]-2-oxopentyl]acetamide is sourced from PubChem (CID 158770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).