N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide

C12H19NO2 — CID 110868951

IUPACN-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccoc1)C(=O)CC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-11(14)13(4)8-10-5-6-15-9-10/h5-6,9H,7-8H2,1-4H3
InChIKeyOSFRWBBLZCNODW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.67
Rot. Bonds3

About N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide

N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide (PubChem CID 110868951) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
PubChem CID110868951
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccoc1)C(=O)CC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-11(14)13(4)8-10-5-6-15-9-10/h5-6,9H,7-8H2,1-4H3
InChIKeyOSFRWBBLZCNODW-UHFFFAOYSA-N
XLogP2.67
TPSA33.45 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide (CID 110868951) is N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide is CN(Cc1ccoc1)C(=O)CC(C)(C)C.
What is the InChIKey of N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide?
The InChIKey is OSFRWBBLZCNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)7-11(14)13(4)8-10-5-6-15-9-10/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide?
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 110868951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).