N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide

C12H21NO2 — CID 167241764

IUPACN-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
SMILESCCCCNC(=O)C(C)C1C=CC(C)O1
InChIInChI=1S/C12H21NO2/c1-4-5-8-13-12(14)10(3)11-7-6-9(2)15-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyUZLIBEITAKLKHQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds5

About N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide

N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide (PubChem CID 167241764) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
PubChem CID167241764
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
SMILESCCCCNC(=O)C(C)C1C=CC(C)O1
InChIInChI=1S/C12H21NO2/c1-4-5-8-13-12(14)10(3)11-7-6-9(2)15-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyUZLIBEITAKLKHQ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The IUPAC name of N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide (CID 167241764) is N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide.
What is the SMILES notation for N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The canonical SMILES for N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide is CCCCNC(=O)C(C)C1C=CC(C)O1.
What is the InChIKey of N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The InChIKey is UZLIBEITAKLKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-8-13-12(14)10(3)11-7-6-9(2)15-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide has a molecular weight of 211.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide is sourced from PubChem (CID 167241764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).