5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide

C11H18N2O3 — CID 81058548

IUPAC5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O3/c1-3-15-7-6-13(2)11(14)10-5-4-9(8-12)16-10/h4-5H,3,6-8,12H2,1-2H3
InChIKeyIGVUJAHMIUSZRX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.85
Rot. Bonds6

About 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide

5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide (PubChem CID 81058548) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
PubChem CID81058548
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O3/c1-3-15-7-6-13(2)11(14)10-5-4-9(8-12)16-10/h4-5H,3,6-8,12H2,1-2H3
InChIKeyIGVUJAHMIUSZRX-UHFFFAOYSA-N
XLogP0.85
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81053194
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
CID 62459822
5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 81073813
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide (CID 81058548) is 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide is CCOCCN(C)C(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The InChIKey is IGVUJAHMIUSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-15-7-6-13(2)11(14)10-5-4-9(8-12)16-10/h4-5H,3,6-8,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 81058548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).