N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

C18H23NO4 — CID 47012981

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c(C)oc(C)c2C)c1OC
InChIInChI=1S/C18H23NO4/c1-11-12(2)23-13(3)16(11)18(20)19(4)10-14-8-7-9-15(21-5)17(14)22-6/h7-9H,10H2,1-6H3
InChIKeyFRBBZNZXTFCALG-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.49
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 47012981) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID47012981
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c(C)oc(C)c2C)c1OC
InChIInChI=1S/C18H23NO4/c1-11-12(2)23-13(3)16(11)18(20)19(4)10-14-8-7-9-15(21-5)17(14)22-6/h7-9H,10H2,1-6H3
InChIKeyFRBBZNZXTFCALG-UHFFFAOYSA-N
XLogP3.49
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 47047818
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 65151871
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152945
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (CID 47012981) is N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is COc1cccc(CN(C)C(=O)c2c(C)oc(C)c2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is FRBBZNZXTFCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-12(2)23-13(3)16(11)18(20)19(4)10-14-8-7-9-15(21-5)17(14)22-6/h7-9H,10H2,1-6H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 47012981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).