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

C18H24N2O2 — CID 86789732

IUPAC3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(C(C)NCc2cccc(C(=O)N(C)C)c2)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12-9-17(14(3)22-12)13(2)19-11-15-7-6-8-16(10-15)18(21)20(4)5/h6-10,13,19H,11H2,1-5H3
InChIKeyYAJHXSYILUESAK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.45
Rot. Bonds5

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

3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 86789732) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID86789732
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(C(C)NCc2cccc(C(=O)N(C)C)c2)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12-9-17(14(3)22-12)13(2)19-11-15-7-6-8-16(10-15)18(21)20(4)5/h6-10,13,19H,11H2,1-5H3
InChIKeyYAJHXSYILUESAK-UHFFFAOYSA-N
XLogP3.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
CID 166209354
3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
CID 75521406
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
2-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]benzoic acid
CID 103246125
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
2-[5-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894802

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide (CID 86789732) is 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide is Cc1cc(C(C)NCc2cccc(C(=O)N(C)C)c2)c(C)o1.
What is the InChIKey of 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is YAJHXSYILUESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-9-17(14(3)22-12)13(2)19-11-15-7-6-8-16(10-15)18(21)20(4)5/h6-10,13,19H,11H2,1-5H3.
What are the key properties of 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 300.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 86789732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).