N-butylformamide;2-methyl-5-(4-methylphenyl)furan

C17H23NO2 — CID 144855927

IUPACN-butylformamide;2-methyl-5-(4-methylphenyl)furan
SMILESCCCCNC=O.Cc1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C12H12O.C5H11NO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-2-3-4-6-5-7/h3-8H,1-2H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyCTEJFUXUWWIUIK-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.10
Rot. Bonds5

About N-butylformamide;2-methyl-5-(4-methylphenyl)furan

N-butylformamide;2-methyl-5-(4-methylphenyl)furan (PubChem CID 144855927) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butylformamide;2-methyl-5-(4-methylphenyl)furan.

Molecular Properties

Compound NameN-butylformamide;2-methyl-5-(4-methylphenyl)furan
PubChem CID144855927
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-butylformamide;2-methyl-5-(4-methylphenyl)furan
SMILESCCCCNC=O.Cc1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C12H12O.C5H11NO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-2-3-4-6-5-7/h3-8H,1-2H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyCTEJFUXUWWIUIK-UHFFFAOYSA-N
XLogP4.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylformamide;2-methyl-5-(4-methylphenyl)furan?
The IUPAC name of N-butylformamide;2-methyl-5-(4-methylphenyl)furan (CID 144855927) is N-butylformamide;2-methyl-5-(4-methylphenyl)furan.
What is the SMILES notation for N-butylformamide;2-methyl-5-(4-methylphenyl)furan?
The canonical SMILES for N-butylformamide;2-methyl-5-(4-methylphenyl)furan is CCCCNC=O.Cc1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of N-butylformamide;2-methyl-5-(4-methylphenyl)furan?
The InChIKey is CTEJFUXUWWIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C5H11NO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-2-3-4-6-5-7/h3-8H,1-2H3;5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-butylformamide;2-methyl-5-(4-methylphenyl)furan?
N-butylformamide;2-methyl-5-(4-methylphenyl)furan has a molecular weight of 273.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide;2-methyl-5-(4-methylphenyl)furan is sourced from PubChem (CID 144855927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).