1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone

C14H15NO2 — CID 104651698

IUPAC1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(C)c2)o1
InChIInChI=1S/C14H15NO2/c1-10-5-4-6-12(9-10)15(3)14-8-7-13(17-14)11(2)16/h4-9H,1-3H3
InChIKeyYPAKIEXVLRPBDJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone

1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone (PubChem CID 104651698) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
PubChem CID104651698
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(C)c2)o1
InChIInChI=1S/C14H15NO2/c1-10-5-4-6-12(9-10)15(3)14-8-7-13(17-14)11(2)16/h4-9H,1-3H3
InChIKeyYPAKIEXVLRPBDJ-UHFFFAOYSA-N
XLogP3.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
CID 79600219
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
CID 113437412
CID 138691650
CID 138691650
3-bromo-5-(N,3-dimethylanilino)benzoic acid
CID 102822791
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
methyl-(3-methylphenyl)sulfamic acid
CID 67996931
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
CID 145278615
CID 145278615

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone (CID 104651698) is 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone is CC(=O)c1ccc(N(C)c2cccc(C)c2)o1.
What is the InChIKey of 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone?
The InChIKey is YPAKIEXVLRPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-5-4-6-12(9-10)15(3)14-8-7-13(17-14)11(2)16/h4-9H,1-3H3.
What are the key properties of 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone?
1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone is sourced from PubChem (CID 104651698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).