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

C12H21NO2 — CID 170574744

IUPACN,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen
SMILESCCC(C)(C)c1cc(C(=O)NC)c(C)o1.[H][H]
InChIInChI=1S/C12H19NO2.H2/c1-6-12(3,4)10-7-9(8(2)15-10)11(14)13-5;/h7H,6H2,1-5H3,(H,13,14);1H
InChIKeyKWFTZPNRGIIEFA-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.88
Rot. Bonds3

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

N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen (PubChem CID 170574744) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen
PubChem CID170574744
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen
SMILESCCC(C)(C)c1cc(C(=O)NC)c(C)o1.[H][H]
InChIInChI=1S/C12H19NO2.H2/c1-6-12(3,4)10-7-9(8(2)15-10)11(14)13-5;/h7H,6H2,1-5H3,(H,13,14);1H
InChIKeyKWFTZPNRGIIEFA-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen?
The IUPAC name of N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen (CID 170574744) is N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen?
The canonical SMILES for N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen is CCC(C)(C)c1cc(C(=O)NC)c(C)o1.[H][H].
What is the InChIKey of N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen?
The InChIKey is KWFTZPNRGIIEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.H2/c1-6-12(3,4)10-7-9(8(2)15-10)11(14)13-5;/h7H,6H2,1-5H3,(H,13,14);1H.
What are the key properties of N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen?
N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen has a molecular weight of 211.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(2-methylbutan-2-yl)furan-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 170574744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).