5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride

C17H23ClN2O2 — CID 119432467

IUPAC5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCCc1ccc(-c2ccc(C(=O)NCCCNC)o2)cc1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-3-13-5-7-14(8-6-13)15-9-10-16(21-15)17(20)19-12-4-11-18-2;/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20);1H
InChIKeySPLXWUGQUFTDHD-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.27
Rot. Bonds7

About 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride

5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride (PubChem CID 119432467) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
PubChem CID119432467
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCCc1ccc(-c2ccc(C(=O)NCCCNC)o2)cc1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-3-13-5-7-14(8-6-13)15-9-10-16(21-15)17(20)19-12-4-11-18-2;/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20);1H
InChIKeySPLXWUGQUFTDHD-UHFFFAOYSA-N
XLogP3.27
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.27
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-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide
CID 37438823
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride (CID 119432467) is 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride is CCc1ccc(-c2ccc(C(=O)NCCCNC)o2)cc1.Cl.
What is the InChIKey of 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride?
The InChIKey is SPLXWUGQUFTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-3-13-5-7-14(8-6-13)15-9-10-16(21-15)17(20)19-12-4-11-18-2;/h5-10,18H,3-4,11-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride?
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119432467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).