2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate

C20H26N2O6 — CID 7301876

IUPAC2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O6/c1-22(10-9-15-7-8-16(25-3)18(14-15)26-4)20(28-13-12-24-2)21-19(23)17-6-5-11-27-17/h5-8,11,14H,9-10,12-13H2,1-4H3/b21-20-
InChIKeyHBGYCKCFTQGEDX-MRCUWXFGSA-N
MW390.44 g/mol
LogP2.63
Rot. Bonds9

About 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate

2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate (PubChem CID 7301876) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
PubChem CID7301876
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O6/c1-22(10-9-15-7-8-16(25-3)18(14-15)26-4)20(28-13-12-24-2)21-19(23)17-6-5-11-27-17/h5-8,11,14H,9-10,12-13H2,1-4H3/b21-20-
InChIKeyHBGYCKCFTQGEDX-MRCUWXFGSA-N
XLogP2.63
TPSA82.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

propyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-fluorobenzoyl)-N-methylcarbamimidate
CID 7481921
N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 25163723
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 42695445
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111241858
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)-1-methylguanidine
CID 111241001
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The IUPAC name of 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate (CID 7301876) is 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate.
What is the SMILES notation for 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The canonical SMILES for 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate is COCCO/C(=N\C(=O)c1ccco1)N(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
The InChIKey is HBGYCKCFTQGEDX-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-22(10-9-15-7-8-16(25-3)18(14-15)26-4)20(28-13-12-24-2)21-19(23)17-6-5-11-27-17/h5-8,11,14H,9-10,12-13H2,1-4H3/b21-20-.
What are the key properties of 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate?
2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate has a molecular weight of 390.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate is sourced from PubChem (CID 7301876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).