N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide

C13H20ClNO3 — CID 114263891

IUPACN-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CCOCCCl)o1
InChIInChI=1S/C13H20ClNO3/c1-3-11-5-6-12(18-11)13(16)15(4-2)8-10-17-9-7-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyRUHLDLBWPJBKQX-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.56
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide

N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide (PubChem CID 114263891) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
PubChem CID114263891
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CCOCCCl)o1
InChIInChI=1S/C13H20ClNO3/c1-3-11-5-6-12(18-11)13(16)15(4-2)8-10-17-9-7-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyRUHLDLBWPJBKQX-UHFFFAOYSA-N
XLogP2.56
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.56
H-Bond Donors ≤ 50
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,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 63395497
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
CID 52842611
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
N,5-diethyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106625965

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide (CID 114263891) is N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide is CCc1ccc(C(=O)N(CC)CCOCCCl)o1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide?
The InChIKey is RUHLDLBWPJBKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-3-11-5-6-12(18-11)13(16)15(4-2)8-10-17-9-7-14/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide is sourced from PubChem (CID 114263891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).