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

C16H20N2O2 — CID 103144443

IUPACN-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2C)c(C)cc1N
InChIInChI=1S/C16H20N2O2/c1-8-7-14(9(2)6-13(8)17)18-16(19)15-10(3)11(4)20-12(15)5/h6-7H,17H2,1-5H3,(H,18,19)
InChIKeyIZUPPEVKXLLFDY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds2

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

N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 103144443) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID103144443
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2C)c(C)cc1N
InChIInChI=1S/C16H20N2O2/c1-8-7-14(9(2)6-13(8)17)18-16(19)15-10(3)11(4)20-12(15)5/h6-7H,17H2,1-5H3,(H,18,19)
InChIKeyIZUPPEVKXLLFDY-UHFFFAOYSA-N
XLogP3.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.66
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

N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151827
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076
N-(5-amino-3-methyl-2-pyridinyl)-2,4,5-trimethylfuran-3-carboxamide
CID 112555357
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 103144443) is N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1cc(NC(=O)c2c(C)oc(C)c2C)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is IZUPPEVKXLLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-8-7-14(9(2)6-13(8)17)18-16(19)15-10(3)11(4)20-12(15)5/h6-7H,17H2,1-5H3,(H,18,19).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 103144443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).