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

C16H20N2O2 — CID 65151827

IUPACN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1cc(N)c(NC(=O)c2c(C)oc(C)c2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-8-6-13(17)14(7-9(8)2)18-16(19)15-10(3)11(4)20-12(15)5/h6-7H,17H2,1-5H3,(H,18,19)
InChIKeyANDPAGGCNYWEBT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds2

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

N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151827) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151827
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1cc(N)c(NC(=O)c2c(C)oc(C)c2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-8-6-13(17)14(7-9(8)2)18-16(19)15-10(3)11(4)20-12(15)5/h6-7H,17H2,1-5H3,(H,18,19)
InChIKeyANDPAGGCNYWEBT-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-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(2-amino-4,5-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 62098426
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
N-(5-amino-3-methyl-2-pyridinyl)-2,4,5-trimethylfuran-3-carboxamide
CID 112555357
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 65151827) is N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1cc(N)c(NC(=O)c2c(C)oc(C)c2C)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is ANDPAGGCNYWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-8-6-13(17)14(7-9(8)2)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-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(2-amino-4,5-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-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).