N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide

C13H19NO4 — CID 103762598

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2COC(C)(C)O2)c(C)o1
InChIInChI=1S/C13H19NO4/c1-8-5-11(9(2)17-8)12(15)14-6-10-7-16-13(3,4)18-10/h5,10H,6-7H2,1-4H3,(H,14,15)
InChIKeyBZBLULYQIRXPBC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 103762598) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID103762598
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2COC(C)(C)O2)c(C)o1
InChIInChI=1S/C13H19NO4/c1-8-5-11(9(2)17-8)12(15)14-6-10-7-16-13(3,4)18-10/h5,10H,6-7H2,1-4H3,(H,14,15)
InChIKeyBZBLULYQIRXPBC-UHFFFAOYSA-N
XLogP1.78
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 103762597
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 103762598) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC2COC(C)(C)O2)c(C)o1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BZBLULYQIRXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-5-11(9(2)17-8)12(15)14-6-10-7-16-13(3,4)18-10/h5,10H,6-7H2,1-4H3,(H,14,15).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 103762598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).