8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119500438

IUPAC8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1=Cc2cccc(OC)c2OC1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-15-6-7-16-14(17)11-8-10-4-3-5-12(18-2)13(10)19-9-11;/h3-5,8,15H,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyFZVZAGNTZIFYIU-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.23
Rot. Bonds5

About 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride

8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119500438) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119500438
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1=Cc2cccc(OC)c2OC1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-15-6-7-16-14(17)11-8-10-4-3-5-12(18-2)13(10)19-9-11;/h3-5,8,15H,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyFZVZAGNTZIFYIU-UHFFFAOYSA-N
XLogP1.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119605897
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
CID 134131481
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
CID 119438960

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride (CID 119500438) is 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride is CNCCNC(=O)C1=Cc2cccc(OC)c2OC1.Cl.
What is the InChIKey of 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is FZVZAGNTZIFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-15-6-7-16-14(17)11-8-10-4-3-5-12(18-2)13(10)19-9-11;/h3-5,8,15H,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride?
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119500438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).