2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide

C12H21NO2 — CID 11241295

IUPAC2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1C=CCO1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14)
InChIKeyAHDOIGLLOLODBM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds7

About 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide

2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide (PubChem CID 11241295) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide
PubChem CID11241295
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1C=CCO1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14)
InChIKeyAHDOIGLLOLODBM-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
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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Related Compounds

2-(2,5-Dihydrofuran-2-yl)-N,N-diethylacetamide
CID 71374262
(E)-N-[(E)-4-methoxybut-2-enyl]non-6-enamide
CID 89820634
3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
CID 123378652
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 144515520
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide
CID 153306750
N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
CID 167241764
(Z)-6-ethoxy-N-ethylhex-4-enamide
CID 169923677
N-butyl-2-(2,5-dihydrofuran-2-yl)acetamide
CID 101253880
3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide
CID 144515522
2-methyl-N-[7-(2-methylpropoxy)hept-5-enyl]propanamide
CID 159984897

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide (CID 11241295) is 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide is CCCCCCNC(=O)CC1C=CCO1.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide?
The InChIKey is AHDOIGLLOLODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-8-13-12(14)10-11-7-6-9-15-11/h6-7,11H,2-5,8-10H2,1H3,(H,13,14).
What are the key properties of 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide?
2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide is sourced from PubChem (CID 11241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).