N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide

C12H19NO2 — CID 121446739

IUPACN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3
InChIKeyAZYAYOSYGNRPGG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.67
Rot. Bonds4

About N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide

N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide (PubChem CID 121446739) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide
PubChem CID121446739
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3
InChIKeyAZYAYOSYGNRPGG-UHFFFAOYSA-N
XLogP2.67
TPSA33.45 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide (CID 121446739) is N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide?
The InChIKey is AZYAYOSYGNRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h6-8H,5,9H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide?
N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).