N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide

C13H20ClNO3 — CID 114242702

IUPACN-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)CCOCCCl)c1C
InChIInChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(4)6-8-17-7-5-14/h5-8H2,1-4H3
InChIKeyZGYRTAZSWGTNGG-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide

N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 114242702) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID114242702
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)CCOCCCl)c1C
InChIInChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(4)6-8-17-7-5-14/h5-8H2,1-4H3
InChIKeyZGYRTAZSWGTNGG-UHFFFAOYSA-N
XLogP2.53
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.53
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-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 113468246
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
N-[2-(2-chloroethoxy)ethyl]-2,3,4-trifluoro-N-methylbenzamide
CID 114242756
N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80662981
N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984
N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47288271
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115783034
N-[2-(2-chloroethoxy)ethyl]-3-cyano-N-methylbenzamide
CID 114242732
N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 114242753
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 65151871
N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 63391531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide (CID 114242702) is N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(C)CCOCCCl)c1C.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is ZGYRTAZSWGTNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(4)6-8-17-7-5-14/h5-8H2,1-4H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 2.53, 6 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,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 114242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).