5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C17H19NO6 — CID 119942685

IUPAC5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H19NO6/c1-10-12(17(20)21)8-11(24-10)9-18(2)16(19)15-13(22-3)6-5-7-14(15)23-4/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyRHBAZIXCKGUDBK-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.58
Rot. Bonds6

About 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119942685) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119942685
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C17H19NO6/c1-10-12(17(20)21)8-11(24-10)9-18(2)16(19)15-13(22-3)6-5-7-14(15)23-4/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyRHBAZIXCKGUDBK-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-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222002
5-[[(3-ethylsulfonylbenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523015
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522914
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221969
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119942685) is 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is COc1cccc(OC)c1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RHBAZIXCKGUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10-12(17(20)21)8-11(24-10)9-18(2)16(19)15-13(22-3)6-5-7-14(15)23-4/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of 5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-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-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119942685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).