N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide

C18H19NO4 — CID 71688772

IUPACN-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)N(C)Cc2ccco2)cc2occc12
InChIInChI=1S/C18H19NO4/c1-12(2)23-17-10-13(9-16-15(17)6-8-22-16)18(20)19(3)11-14-5-4-7-21-14/h4-10,12H,11H2,1-3H3
InChIKeyFYZUMZMYJLKHPY-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.09
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide

N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide (PubChem CID 71688772) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
PubChem CID71688772
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)N(C)Cc2ccco2)cc2occc12
InChIInChI=1S/C18H19NO4/c1-12(2)23-17-10-13(9-16-15(17)6-8-22-16)18(20)19(3)11-14-5-4-7-21-14/h4-10,12H,11H2,1-3H3
InChIKeyFYZUMZMYJLKHPY-UHFFFAOYSA-N
XLogP4.09
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958228
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide
CID 71688750
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide (CID 71688772) is N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide is CC(C)Oc1cc(C(=O)N(C)Cc2ccco2)cc2occc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The InChIKey is FYZUMZMYJLKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)23-17-10-13(9-16-15(17)6-8-22-16)18(20)19(3)11-14-5-4-7-21-14/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 71688772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).