N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride

C16H21ClN2O4 — CID 18368297

IUPACN-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
SMILESCOCCNCCOc1ccc(NC(=O)c2ccoc2)cc1.Cl
InChIInChI=1S/C16H20N2O4.ClH/c1-20-10-7-17-8-11-22-15-4-2-14(3-5-15)18-16(19)13-6-9-21-12-13;/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,18,19);1H
InChIKeyNNNSKBQXOWWGNP-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.57
Rot. Bonds9

About N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride

N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride (PubChem CID 18368297) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
PubChem CID18368297
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC NameN-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
SMILESCOCCNCCOc1ccc(NC(=O)c2ccoc2)cc1.Cl
InChIInChI=1S/C16H20N2O4.ClH/c1-20-10-7-17-8-11-22-15-4-2-14(3-5-15)18-16(19)13-6-9-21-12-13;/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,18,19);1H
InChIKeyNNNSKBQXOWWGNP-UHFFFAOYSA-N
XLogP2.57
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
Arylaminoethyl amide deriv. 18
CID 11305867
1-[1-(Furan-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696183
8-(2-methylfuran-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376214
1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409140
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride (CID 18368297) is N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride is COCCNCCOc1ccc(NC(=O)c2ccoc2)cc1.Cl.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride?
The InChIKey is NNNSKBQXOWWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4.ClH/c1-20-10-7-17-8-11-22-15-4-2-14(3-5-15)18-16(19)13-6-9-21-12-13;/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride?
N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 18368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).