N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide

C18H34N4O4 — CID 567824

IUPACN-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C18H34N4O4/c1-15(23)19-9-7-13-21(17(3)25)11-5-6-12-22(18(4)26)14-8-10-20-16(2)24/h5-14H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXHYNAQBZYJGMLF-UHFFFAOYSA-N
MW370.49 g/mol
LogP0.52
Rot. Bonds13

About N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide

N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide (PubChem CID 567824) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide
PubChem CID567824
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC NameN-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C18H34N4O4/c1-15(23)19-9-7-13-21(17(3)25)11-5-6-12-22(18(4)26)14-8-10-20-16(2)24/h5-14H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXHYNAQBZYJGMLF-UHFFFAOYSA-N
XLogP0.52
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide?
The IUPAC name of N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide (CID 567824) is N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide?
The canonical SMILES for N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide is CC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O.
What is the InChIKey of N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide?
The InChIKey is XHYNAQBZYJGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-15(23)19-9-7-13-21(17(3)25)11-5-6-12-22(18(4)26)14-8-10-20-16(2)24/h5-14H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide?
N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 0.52, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-acetamidopropyl(acetyl)amino]butyl-acetylamino]propyl]acetamide is sourced from PubChem (CID 567824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).