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

C16H19NO2 — CID 2865500

IUPACN-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(C)o2)c1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)15(10-11)17-16(18)9-8-14-7-6-13(3)19-14/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyGADXBQQQJODFTL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.78
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 2865500) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID2865500
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(C)o2)c1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)15(10-11)17-16(18)9-8-14-7-6-13(3)19-14/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyGADXBQQQJODFTL-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-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide (CID 2865500) is N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2ccc(C)o2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is GADXBQQQJODFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-4-5-12(2)15(10-11)17-16(18)9-8-14-7-6-13(3)19-14/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(2,5-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-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 2865500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).