1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone

C15H17NO2 — CID 104651696

IUPAC1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1ccc(C(C)=O)o1
InChIInChI=1S/C15H17NO2/c1-4-16(13-7-5-11(2)6-8-13)15-10-9-14(18-15)12(3)17/h5-10H,4H2,1-3H3
InChIKeyVPEXGNOWCUWWCZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.95
Rot. Bonds4

About 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone

1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone (PubChem CID 104651696) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone
PubChem CID104651696
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1ccc(C(C)=O)o1
InChIInChI=1S/C15H17NO2/c1-4-16(13-7-5-11(2)6-8-13)15-10-9-14(18-15)12(3)17/h5-10H,4H2,1-3H3
InChIKeyVPEXGNOWCUWWCZ-UHFFFAOYSA-N
XLogP3.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
CID 104651698
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113565
1-[4-bromo-2-(N-ethyl-4-methylanilino)phenyl]ethanone
CID 82966813
2-[(5-acetylfuran-2-yl)-(cyanomethyl)amino]acetonitrile
CID 104651498
1-[5-[propan-2-yl(prop-2-enyl)amino]furan-2-yl]ethanone
CID 104651835
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone
CID 104651831
[4-(N-ethyl-4-methylanilino)-3-methylphenyl]methanol
CID 62122401

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone (CID 104651696) is 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone is CCN(c1ccc(C)cc1)c1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone?
The InChIKey is VPEXGNOWCUWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-16(13-7-5-11(2)6-8-13)15-10-9-14(18-15)12(3)17/h5-10H,4H2,1-3H3.
What are the key properties of 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone?
1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone is sourced from PubChem (CID 104651696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).