N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride

C15H19ClN2O2 — CID 119547985

IUPACN-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NCCc2ccc(N)cc2)o1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10-9-11(2)19-14(10)15(18)17-8-7-12-3-5-13(16)6-4-12;/h3-6,9H,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyAOLRRGMOPURTLG-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride (PubChem CID 119547985) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
PubChem CID119547985
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NCCc2ccc(N)cc2)o1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10-9-11(2)19-14(10)15(18)17-8-7-12-3-5-13(16)6-4-12;/h3-6,9H,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyAOLRRGMOPURTLG-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3,5-dimethylfuran-2-carbonyl)amino]ethyl]benzoic acid
CID 119168767
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119549161
N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119548605
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
CID 23389090
CID 23389090

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride (CID 119547985) is N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride is Cc1cc(C)c(C(=O)NCCc2ccc(N)cc2)o1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride?
The InChIKey is AOLRRGMOPURTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-10-9-11(2)19-14(10)15(18)17-8-7-12-3-5-13(16)6-4-12;/h3-6,9H,7-8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119547985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).