4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide

C17H22N2O2 — CID 43740192

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-10-8-14(17(20)18-5)6-7-16(10)19-12(3)15-9-11(2)21-13(15)4/h6-9,12,19H,1-5H3,(H,18,20)
InChIKeyIPDNKTKMIPVVGQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.74
Rot. Bonds4

About 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide (PubChem CID 43740192) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
PubChem CID43740192
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-10-8-14(17(20)18-5)6-7-16(10)19-12(3)15-9-11(2)21-13(15)4/h6-9,12,19H,1-5H3,(H,18,20)
InChIKeyIPDNKTKMIPVVGQ-UHFFFAOYSA-N
XLogP3.74
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
CID 43679591
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026
4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
CID 61001055
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630962
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide (CID 43740192) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(C)c2cc(C)oc2C)c(C)c1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide?
The InChIKey is IPDNKTKMIPVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-14(17(20)18-5)6-7-16(10)19-12(3)15-9-11(2)21-13(15)4/h6-9,12,19H,1-5H3,(H,18,20).
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 43740192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).