4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide

C14H17N3O2 — CID 63355837

IUPAC4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
SMILESCc1ccc(CN(C)c2cc(C(N)=O)ccc2N)o1
InChIInChI=1S/C14H17N3O2/c1-9-3-5-11(19-9)8-17(2)13-7-10(14(16)18)4-6-12(13)15/h3-7H,8,15H2,1-2H3,(H2,16,18)
InChIKeyCABWTVHGPHQYLU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds4

About 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide

4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide (PubChem CID 63355837) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
PubChem CID63355837
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
SMILESCc1ccc(CN(C)c2cc(C(N)=O)ccc2N)o1
InChIInChI=1S/C14H17N3O2/c1-9-3-5-11(19-9)8-17(2)13-7-10(14(16)18)4-6-12(13)15/h3-7H,8,15H2,1-2H3,(H2,16,18)
InChIKeyCABWTVHGPHQYLU-UHFFFAOYSA-N
XLogP1.91
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
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

4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]benzamide
CID 63356603
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-5-nitrobenzoic acid
CID 43396367

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide?
The IUPAC name of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide (CID 63355837) is 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide.
What is the SMILES notation for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide?
The canonical SMILES for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide is Cc1ccc(CN(C)c2cc(C(N)=O)ccc2N)o1.
What is the InChIKey of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide?
The InChIKey is CABWTVHGPHQYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-5-11(19-9)8-17(2)13-7-10(14(16)18)4-6-12(13)15/h3-7H,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide?
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide is sourced from PubChem (CID 63355837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).