2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide

C17H21NO2 — CID 100597098

IUPAC2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccco2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-13-7-8-15(14(2)11-13)12-17(19)18-9-3-5-16-6-4-10-20-16/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,18,19)
InChIKeySOFRZMAEVXXNPR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.19
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide

2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide (PubChem CID 100597098) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
PubChem CID100597098
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccco2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-13-7-8-15(14(2)11-13)12-17(19)18-9-3-5-16-6-4-10-20-16/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,18,19)
InChIKeySOFRZMAEVXXNPR-UHFFFAOYSA-N
XLogP3.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide (CID 100597098) is 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide is Cc1ccc(CC(=O)NCCCc2ccco2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide?
The InChIKey is SOFRZMAEVXXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-8-15(14(2)11-13)12-17(19)18-9-3-5-16-6-4-10-20-16/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide?
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide is sourced from PubChem (CID 100597098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).