N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide

C13H22N2O2 — CID 119586216

IUPACN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC(CN)CC(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-8(2)5-11(7-14)15-13(16)12-9(3)6-10(4)17-12/h6,8,11H,5,7,14H2,1-4H3,(H,15,16)
InChIKeyYIYYMVWWLVFEOW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide (PubChem CID 119586216) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
PubChem CID119586216
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC(CN)CC(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-8(2)5-11(7-14)15-13(16)12-9(3)6-10(4)17-12/h6,8,11H,5,7,14H2,1-4H3,(H,15,16)
InChIKeyYIYYMVWWLVFEOW-UHFFFAOYSA-N
XLogP2.00
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide (CID 119586216) is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)NC(CN)CC(C)C)o1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide?
The InChIKey is YIYYMVWWLVFEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)5-11(7-14)15-13(16)12-9(3)6-10(4)17-12/h6,8,11H,5,7,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 119586216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).