2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide

C12H19NO2 — CID 35523982

IUPAC2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-8(2)5-6-13-12(14)11-7-9(3)15-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyWFVOOFIZAMMZOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.67
Rot. Bonds4

About 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide

2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide (PubChem CID 35523982) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
PubChem CID35523982
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-8(2)5-6-13-12(14)11-7-9(3)15-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyWFVOOFIZAMMZOJ-UHFFFAOYSA-N
XLogP2.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111485177

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide (CID 35523982) is 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide is Cc1cc(C(=O)NCCC(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
The InChIKey is WFVOOFIZAMMZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)5-6-13-12(14)11-7-9(3)15-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide?
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide is sourced from PubChem (CID 35523982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).