N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide

C13H22N2O2 — CID 60673240

IUPACN-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCCCCNC(=O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)9-15-11(3)12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyCSZDPTVRTTWFNK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.15
Rot. Bonds7

About N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide

N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (PubChem CID 60673240) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
PubChem CID60673240
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCCCCNC(=O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)9-15-11(3)12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyCSZDPTVRTTWFNK-UHFFFAOYSA-N
XLogP2.15
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.15
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-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The IUPAC name of N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (CID 60673240) is N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide is CCCCNC(=O)CNC(C)c1ccc(C)o1.
What is the InChIKey of N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The InChIKey is CSZDPTVRTTWFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)9-15-11(3)12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide has a molecular weight of 238.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide is sourced from PubChem (CID 60673240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).