5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride

C16H21ClN2O2 — CID 119502712

IUPAC5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCc1ccc(-c2ccc(C(=O)NCCNC)o2)cc1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-3-12-4-6-13(7-5-12)14-8-9-15(20-14)16(19)18-11-10-17-2;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H
InChIKeyWXCMWTZZDYXWDA-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.88
Rot. Bonds6

About 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride

5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 119502712) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
PubChem CID119502712
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCc1ccc(-c2ccc(C(=O)NCCNC)o2)cc1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-3-12-4-6-13(7-5-12)14-8-9-15(20-14)16(19)18-11-10-17-2;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H
InChIKeyWXCMWTZZDYXWDA-UHFFFAOYSA-N
XLogP2.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride (CID 119502712) is 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride is CCc1ccc(-c2ccc(C(=O)NCCNC)o2)cc1.Cl.
What is the InChIKey of 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is WXCMWTZZDYXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-3-12-4-6-13(7-5-12)14-8-9-15(20-14)16(19)18-11-10-17-2;/h4-9,17H,3,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119502712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).