butyl 2-[acetyl(butyl)amino]butanoate

C14H27NO3 — CID 154383050

IUPACbutyl 2-[acetyl(butyl)amino]butanoate
SMILESCCCCOC(=O)C(CC)N(CCCC)C(C)=O
InChIInChI=1S/C14H27NO3/c1-5-8-10-15(12(4)16)13(7-3)14(17)18-11-9-6-2/h13H,5-11H2,1-4H3
InChIKeyZKPKLGFNHBDIRX-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.76
Rot. Bonds9

About butyl 2-[acetyl(butyl)amino]butanoate

butyl 2-[acetyl(butyl)amino]butanoate (PubChem CID 154383050) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is butyl 2-[acetyl(butyl)amino]butanoate.

Molecular Properties

Compound Namebutyl 2-[acetyl(butyl)amino]butanoate
PubChem CID154383050
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namebutyl 2-[acetyl(butyl)amino]butanoate
SMILESCCCCOC(=O)C(CC)N(CCCC)C(C)=O
InChIInChI=1S/C14H27NO3/c1-5-8-10-15(12(4)16)13(7-3)14(17)18-11-9-6-2/h13H,5-11H2,1-4H3
InChIKeyZKPKLGFNHBDIRX-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
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 butyl 2-[acetyl(butyl)amino]butanoate?
The IUPAC name of butyl 2-[acetyl(butyl)amino]butanoate (CID 154383050) is butyl 2-[acetyl(butyl)amino]butanoate.
What is the SMILES notation for butyl 2-[acetyl(butyl)amino]butanoate?
The canonical SMILES for butyl 2-[acetyl(butyl)amino]butanoate is CCCCOC(=O)C(CC)N(CCCC)C(C)=O.
What is the InChIKey of butyl 2-[acetyl(butyl)amino]butanoate?
The InChIKey is ZKPKLGFNHBDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-8-10-15(12(4)16)13(7-3)14(17)18-11-9-6-2/h13H,5-11H2,1-4H3.
What are the key properties of butyl 2-[acetyl(butyl)amino]butanoate?
butyl 2-[acetyl(butyl)amino]butanoate has a molecular weight of 257.37 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[acetyl(butyl)amino]butanoate is sourced from PubChem (CID 154383050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).