N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide

C14H16N2O3 — CID 16790725

IUPACN-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-11(9(2)19-8)14(17)16-12-5-4-10(15)7-13(12)18-3/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyLIOFLZFBKMYUFG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.74
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide

N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 16790725) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID16790725
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-11(9(2)19-8)14(17)16-12-5-4-10(15)7-13(12)18-3/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyLIOFLZFBKMYUFG-UHFFFAOYSA-N
XLogP2.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 131890754
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
N-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434
2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 39000210
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide (CID 16790725) is N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide is COc1cc(N)ccc1NC(=O)c1cc(C)oc1C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LIOFLZFBKMYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-6-11(9(2)19-8)14(17)16-12-5-4-10(15)7-13(12)18-3/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 16790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).