2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate

C17H20N2O4 — CID 7296039

IUPAC2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)Cc1ccccc1
InChIInChI=1S/C17H20N2O4/c1-19(13-14-7-4-3-5-8-14)17(23-12-11-21-2)18-16(20)15-9-6-10-22-15/h3-10H,11-13H2,1-2H3/b18-17-
InChIKeyGWVKZBZYPGXBLX-ZCXUNETKSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds6

About 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate

2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate (PubChem CID 7296039) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
PubChem CID7296039
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)Cc1ccccc1
InChIInChI=1S/C17H20N2O4/c1-19(13-14-7-4-3-5-8-14)17(23-12-11-21-2)18-16(20)15-9-6-10-22-15/h3-10H,11-13H2,1-2H3/b18-17-
InChIKeyGWVKZBZYPGXBLX-ZCXUNETKSA-N
XLogP2.57
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7301876
2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate
CID 7301471
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
CID 7264058
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7301572
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
CID 51032935
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The IUPAC name of 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate (CID 7296039) is 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate.
What is the SMILES notation for 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The canonical SMILES for 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate is COCCO/C(=N\C(=O)c1ccco1)N(C)Cc1ccccc1.
What is the InChIKey of 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The InChIKey is GWVKZBZYPGXBLX-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19(13-14-7-4-3-5-8-14)17(23-12-11-21-2)18-16(20)15-9-6-10-22-15/h3-10H,11-13H2,1-2H3/b18-17-.
What are the key properties of 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate has a molecular weight of 316.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate is sourced from PubChem (CID 7296039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).