3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide

C14H17N3O2 — CID 82989046

IUPAC3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccco2)c(N)c1
InChIInChI=1S/C14H17N3O2/c1-9(13-4-3-7-19-13)17-12-6-5-10(8-11(12)15)14(18)16-2/h3-9,17H,15H2,1-2H3,(H,16,18)
InChIKeyWXPZUVSCSZVBGQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide

3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide (PubChem CID 82989046) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
PubChem CID82989046
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccco2)c(N)c1
InChIInChI=1S/C14H17N3O2/c1-9(13-4-3-7-19-13)17-12-6-5-10(8-11(12)15)14(18)16-2/h3-9,17H,15H2,1-2H3,(H,16,18)
InChIKeyWXPZUVSCSZVBGQ-UHFFFAOYSA-N
XLogP2.39
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
CID 78969781
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
CID 82989343
3-amino-N-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzamide
CID 106281246
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide (CID 82989046) is 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(C)c2ccco2)c(N)c1.
What is the InChIKey of 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide?
The InChIKey is WXPZUVSCSZVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(13-4-3-7-19-13)17-12-6-5-10(8-11(12)15)14(18)16-2/h3-9,17H,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide?
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 82989046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).