N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide

C16H19NO2 — CID 2146362

IUPACN-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-16(18)9-8-15-7-5-13(3)19-15/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyZVSYOKNJJJKHMD-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.78
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide

N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 2146362) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID2146362
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-16(18)9-8-15-7-5-13(3)19-15/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyZVSYOKNJJJKHMD-UHFFFAOYSA-N
XLogP3.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide (CID 2146362) is N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is ZVSYOKNJJJKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-4-6-14(10-12(11)2)17-16(18)9-8-15-7-5-13(3)19-15/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 2146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).