3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one

C16H19NO2 — CID 877362

IUPAC3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-9-8-15(18)16-7-5-13(3)19-16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUKSXNATUPAHCOF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.89
Rot. Bonds5

About 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one

3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 877362) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID877362
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-9-8-15(18)16-7-5-13(3)19-16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUKSXNATUPAHCOF-UHFFFAOYSA-N
XLogP3.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
3-(3,4-dimethylanilino)propanamide
CID 43131963
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058724
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one (CID 877362) is 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)CCNc2ccc(C)c(C)c2)o1.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is UKSXNATUPAHCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-9-8-15(18)16-7-5-13(3)19-16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 877362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).