hexyl N-(furan-2-ylmethyl)carbamate

C12H19NO3 — CID 67843167

IUPAChexyl N-(furan-2-ylmethyl)carbamate
SMILESCCCCCCOC(=O)NCc1ccco1
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-8-16-12(14)13-10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyVWLKGLOCIHUODQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.09
Rot. Bonds7

About hexyl N-(furan-2-ylmethyl)carbamate

hexyl N-(furan-2-ylmethyl)carbamate (PubChem CID 67843167) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is hexyl N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namehexyl N-(furan-2-ylmethyl)carbamate
PubChem CID67843167
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namehexyl N-(furan-2-ylmethyl)carbamate
SMILESCCCCCCOC(=O)NCc1ccco1
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-8-16-12(14)13-10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyVWLKGLOCIHUODQ-UHFFFAOYSA-N
XLogP3.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hexyl N-(furan-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
N-(furan-2-ylmethylcarbamothioyl)-4-heptoxybenzamide
CID 4950958
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
CID 7984445
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
2-octoxycarbonylbenzoic acid;2-octylfuran
CID 174741403
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925

Frequently Asked Questions

What is the IUPAC name of hexyl N-(furan-2-ylmethyl)carbamate?
The IUPAC name of hexyl N-(furan-2-ylmethyl)carbamate (CID 67843167) is hexyl N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for hexyl N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for hexyl N-(furan-2-ylmethyl)carbamate is CCCCCCOC(=O)NCc1ccco1.
What is the InChIKey of hexyl N-(furan-2-ylmethyl)carbamate?
The InChIKey is VWLKGLOCIHUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-5-8-16-12(14)13-10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3,(H,13,14).
What are the key properties of hexyl N-(furan-2-ylmethyl)carbamate?
hexyl N-(furan-2-ylmethyl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 67843167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).