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

C17H21NO2 — CID 938834

IUPACN-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
InChIInChI=1S/C17H21NO2/c1-4-15-7-8-16(20-15)9-10-17(19)18-14-6-5-12(2)13(3)11-14/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyMMXFBIWMAQPNOW-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.03
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 938834) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID938834
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
InChIInChI=1S/C17H21NO2/c1-4-15-7-8-16(20-15)9-10-17(19)18-14-6-5-12(2)13(3)11-14/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyMMXFBIWMAQPNOW-UHFFFAOYSA-N
XLogP4.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.03
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-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide (CID 938834) is N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is MMXFBIWMAQPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-15-7-8-16(20-15)9-10-17(19)18-14-6-5-12(2)13(3)11-14/h5-8,11H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 4.03, 5 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-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 938834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).