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

C17H22N2O2 — CID 43682035

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1cc(C(C)Nc2ccc(C(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-11-10-16(13(3)21-11)12(2)18-15-8-6-14(7-9-15)17(20)19(4)5/h6-10,12,18H,1-5H3
InChIKeyWYDIMQMNWQIIRU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds4

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

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 43682035) 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,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
PubChem CID43682035
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1cc(C(C)Nc2ccc(C(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-11-10-16(13(3)21-11)12(2)18-15-8-6-14(7-9-15)17(20)19(4)5/h6-10,12,18H,1-5H3
InChIKeyWYDIMQMNWQIIRU-UHFFFAOYSA-N
XLogP3.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 86789732
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 65192374
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
CID 61335120
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486
ethyl 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzoate
CID 43321920
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
CID 43679591
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide (CID 43682035) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide is Cc1cc(C(C)Nc2ccc(C(=O)N(C)C)cc2)c(C)o1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is WYDIMQMNWQIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-10-16(13(3)21-11)12(2)18-15-8-6-14(7-9-15)17(20)19(4)5/h6-10,12,18H,1-5H3.
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 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,N-dimethylbenzamide is sourced from PubChem (CID 43682035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).