N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide

C13H20ClNO3 — CID 113468246

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCCN(CCCl)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(6-5-14)7-8-17-4/h5-8H2,1-4H3
InChIKeyKZYYSYHUWYHDMR-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.53
Rot. Bonds6

About N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 113468246) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID113468246
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCCN(CCCl)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(6-5-14)7-8-17-4/h5-8H2,1-4H3
InChIKeyKZYYSYHUWYHDMR-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 114242702
N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
CID 65153233
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-ethyl-2,4,5-trimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 75418090
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
5-chloro-N-(2-chloroethyl)-2-iodo-N-(2-methoxyethyl)benzamide
CID 114029716
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide (CID 113468246) is N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide is COCCN(CCCl)C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is KZYYSYHUWYHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-9-10(2)18-11(3)12(9)13(16)15(6-5-14)7-8-17-4/h5-8H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-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-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 113468246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).