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

C13H25N3O3 — CID 14365608

IUPACN-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide
SMILESCC(=O)NCCCCN(CCCNC(C)=O)C(C)=O
InChIInChI=1S/C13H25N3O3/c1-11(17)14-7-4-5-9-16(13(3)19)10-6-8-15-12(2)18/h4-10H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyGDVGUTLRMWMZBV-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.28
Rot. Bonds9

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

N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide (PubChem CID 14365608) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide
PubChem CID14365608
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide
SMILESCC(=O)NCCCCN(CCCNC(C)=O)C(C)=O
InChIInChI=1S/C13H25N3O3/c1-11(17)14-7-4-5-9-16(13(3)19)10-6-8-15-12(2)18/h4-10H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyGDVGUTLRMWMZBV-UHFFFAOYSA-N
XLogP0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide?
The IUPAC name of N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide (CID 14365608) is N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide.
What is the SMILES notation for N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide?
The canonical SMILES for N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide is CC(=O)NCCCCN(CCCNC(C)=O)C(C)=O.
What is the InChIKey of N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide?
The InChIKey is GDVGUTLRMWMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(17)14-7-4-5-9-16(13(3)19)10-6-8-15-12(2)18/h4-10H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide?
N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-acetamidopropyl(acetyl)amino]butyl]acetamide is sourced from PubChem (CID 14365608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).