N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide

C14H16N2O2 — CID 28776911

IUPACN-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)ccc(N)c2C)o1
InChIInChI=1S/C14H16N2O2/c1-8-4-6-11(15)10(3)13(8)16-14(17)12-7-5-9(2)18-12/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyCPOIBBZBYUWYEV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.04
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide

N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide (PubChem CID 28776911) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
PubChem CID28776911
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)ccc(N)c2C)o1
InChIInChI=1S/C14H16N2O2/c1-8-4-6-11(15)10(3)13(8)16-14(17)12-7-5-9(2)18-12/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyCPOIBBZBYUWYEV-UHFFFAOYSA-N
XLogP3.04
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.04
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)-5-methylfuran-2-carboxamide
CID 62098426
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide
CID 43259016
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950848
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide (CID 28776911) is N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2c(C)ccc(N)c2C)o1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide?
The InChIKey is CPOIBBZBYUWYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-4-6-11(15)10(3)13(8)16-14(17)12-7-5-9(2)18-12/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide?
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 28776911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).