N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide

C16H16N2O4 — CID 108762746

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2oc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2O4/c1-9-10(2)22-16(14(9)8-17)18-15(19)11-5-12(20-3)7-13(6-11)21-4/h5-7H,1-4H3,(H,18,19)
InChIKeyOERDNABFDMPQCR-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.04
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide (PubChem CID 108762746) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
PubChem CID108762746
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2oc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H16N2O4/c1-9-10(2)22-16(14(9)8-17)18-15(19)11-5-12(20-3)7-13(6-11)21-4/h5-7H,1-4H3,(H,18,19)
InChIKeyOERDNABFDMPQCR-UHFFFAOYSA-N
XLogP3.04
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide
CID 108740247
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
CID 108740106
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 38125978
2-methylpropyl N-(3-cyano-4,5-dimethylfuran-2-yl)carbamate
CID 108740181
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
CID 108762822
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801399
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide (CID 108762746) is N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2oc(C)c(C)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is OERDNABFDMPQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-10(2)22-16(14(9)8-17)18-15(19)11-5-12(20-3)7-13(6-11)21-4/h5-7H,1-4H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 108762746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).