2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide

C12H19NO2 — CID 18712127

IUPAC2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-7(2)9(4)13-12(14)11-6-8(3)15-10(11)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyMLWUTEKDLCEMQB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.67
Rot. Bonds3

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

2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide (PubChem CID 18712127) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
PubChem CID18712127
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(C)C)c(C)o1
InChIInChI=1S/C12H19NO2/c1-7(2)9(4)13-12(14)11-6-8(3)15-10(11)5/h6-7,9H,1-5H3,(H,13,14)
InChIKeyMLWUTEKDLCEMQB-UHFFFAOYSA-N
XLogP2.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353004
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
2,5-dimethyl-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
CID 125140638
2,5-dimethyl-N-[(1S,2R)-1-(4-methylphenyl)-2-methylsulfonylpropyl]furan-3-carboxamide
CID 125140637
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide (CID 18712127) is 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide is Cc1cc(C(=O)NC(C)C(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide?
The InChIKey is MLWUTEKDLCEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(2)9(4)13-12(14)11-6-8(3)15-10(11)5/h6-7,9H,1-5H3,(H,13,14).
What are the key properties of 2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide?
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.67, 3 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-methylbutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 18712127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).