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

C15H18N2O2 — CID 65151872

IUPACN-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(N)c2C)c1C
InChIInChI=1S/C15H18N2O2/c1-8-10(3)19-11(4)14(8)15(18)17-13-7-5-6-12(16)9(13)2/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyHIKSOPPRSWCHBG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.35
Rot. Bonds2

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

N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151872) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151872
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(N)c2C)c1C
InChIInChI=1S/C15H18N2O2/c1-8-10(3)19-11(4)14(8)15(18)17-13-7-5-6-12(16)9(13)2/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyHIKSOPPRSWCHBG-UHFFFAOYSA-N
XLogP3.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.35
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)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
(3-amino-2-methylphenyl)urea
CID 16770559
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
N-(3-amino-2-methylphenyl)-3-methylbut-2-enamide
CID 83505608
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 65151872) is N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2cccc(N)c2C)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is HIKSOPPRSWCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-10(3)19-11(4)14(8)15(18)17-13-7-5-6-12(16)9(13)2/h5-7H,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.35, 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-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).