N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide

C16H19NO2 — CID 100623229

IUPACN-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCCc2ccco2)c1
InChIInChI=1S/C16H19NO2/c1-12-7-8-13(2)15(11-12)16(18)17-9-3-5-14-6-4-10-19-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyMJDBCXGTMGUTRU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide

N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide (PubChem CID 100623229) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
PubChem CID100623229
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCCc2ccco2)c1
InChIInChI=1S/C16H19NO2/c1-12-7-8-13(2)15(11-12)16(18)17-9-3-5-14-6-4-10-19-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyMJDBCXGTMGUTRU-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
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

2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
N-[2-(furan-2-yl)ethyl]-5-methyl-2-(propylamino)benzamide
CID 62510582
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 56759259
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide (CID 100623229) is N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCCCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide?
The InChIKey is MJDBCXGTMGUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-7-8-13(2)15(11-12)16(18)17-9-3-5-14-6-4-10-19-14/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide?
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide has a molecular weight of 257.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 100623229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).