N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

C15H18N2O2 — CID 43297842

IUPACN-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2N)c(C)o1
InChIInChI=1S/C15H18N2O2/c1-9-8-13(11(3)19-9)15(18)17-10(2)12-6-4-5-7-14(12)16/h4-8,10H,16H2,1-3H3,(H,17,18)
InChIKeyIYUWPBQVMNAPGS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 43297842) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID43297842
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2N)c(C)o1
InChIInChI=1S/C15H18N2O2/c1-9-8-13(11(3)19-9)15(18)17-10(2)12-6-4-5-7-14(12)16/h4-8,10H,16H2,1-3H3,(H,17,18)
InChIKeyIYUWPBQVMNAPGS-UHFFFAOYSA-N
XLogP2.97
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 43297787
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829021
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 43297842) is N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2N)c(C)o1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IYUWPBQVMNAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-8-13(11(3)19-9)15(18)17-10(2)12-6-4-5-7-14(12)16/h4-8,10H,16H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43297842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).