5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid

C17H19NO6 — CID 120690586

IUPAC5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
SMILESCOc1cc(C)c(CN(C)C(=O)c2ccc(C(=O)O)o2)cc1OC
InChIInChI=1S/C17H19NO6/c1-10-7-14(22-3)15(23-4)8-11(10)9-18(2)16(19)12-5-6-13(24-12)17(20)21/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyYLGNRHAMSFDTOD-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.58
Rot. Bonds6

About 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid

5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid (PubChem CID 120690586) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
PubChem CID120690586
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
SMILESCOc1cc(C)c(CN(C)C(=O)c2ccc(C(=O)O)o2)cc1OC
InChIInChI=1S/C17H19NO6/c1-10-7-14(22-3)15(23-4)8-11(10)9-18(2)16(19)12-5-6-13(24-12)17(20)21/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyYLGNRHAMSFDTOD-UHFFFAOYSA-N
XLogP2.58
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]furan-2-carboxylic acid
CID 63943541
3-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]benzoic acid
CID 120690589
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690580
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 86849592
3-benzyl-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylthiourea
CID 9054007
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
CID 9084981

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid (CID 120690586) is 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid is COc1cc(C)c(CN(C)C(=O)c2ccc(C(=O)O)o2)cc1OC.
What is the InChIKey of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is YLGNRHAMSFDTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10-7-14(22-3)15(23-4)8-11(10)9-18(2)16(19)12-5-6-13(24-12)17(20)21/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid?
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 120690586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).