N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide

C12H18BrNO3 — CID 106307543

IUPACN-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCCCOCCBr
InChIInChI=1S/C12H18BrNO3/c1-2-11-10(4-8-17-11)12(15)14-6-3-7-16-9-5-13/h4,8H,2-3,5-7,9H2,1H3,(H,14,15)
InChIKeyVHCUGGBHLFQVRY-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.37
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide

N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide (PubChem CID 106307543) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
PubChem CID106307543
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCCCOCCBr
InChIInChI=1S/C12H18BrNO3/c1-2-11-10(4-8-17-11)12(15)14-6-3-7-16-9-5-13/h4,8H,2-3,5-7,9H2,1H3,(H,14,15)
InChIKeyVHCUGGBHLFQVRY-UHFFFAOYSA-N
XLogP2.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-(4-chloropentyl)-2-ethylfuran-3-carboxamide
CID 106129706
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-[3-(2-bromoethoxy)propyl]-2-chloro-5-methylsulfanylbenzamide
CID 114171426
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide (CID 106307543) is N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NCCCOCCBr.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide?
The InChIKey is VHCUGGBHLFQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-2-11-10(4-8-17-11)12(15)14-6-3-7-16-9-5-13/h4,8H,2-3,5-7,9H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide?
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide has a molecular weight of 304.18 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 106307543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).