N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide

C16H20N2O2 — CID 62058076

IUPACN-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1N
InChIInChI=1S/C16H20N2O2/c1-5-12-6-7-13(8-14(12)17)18-16(19)15-9(2)10(3)20-11(15)4/h6-8H,5,17H2,1-4H3,(H,18,19)
InChIKeyRZJFTIXMJYQNMJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.60
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide

N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 62058076) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID62058076
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1N
InChIInChI=1S/C16H20N2O2/c1-5-12-6-7-13(8-14(12)17)18-16(19)15-9(2)10(3)20-11(15)4/h6-8H,5,17H2,1-4H3,(H,18,19)
InChIKeyRZJFTIXMJYQNMJ-UHFFFAOYSA-N
XLogP3.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65152789
N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151827
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
CID 26720131
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 62058076) is N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is CCc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is RZJFTIXMJYQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-12-6-7-13(8-14(12)17)18-16(19)15-9(2)10(3)20-11(15)4/h6-8H,5,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 62058076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).