2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid

C16H17NO4 — CID 119222158

IUPAC2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccccc1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C16H17NO4/c1-10-6-4-5-7-13(10)15(18)17(3)9-12-8-14(16(19)20)11(2)21-12/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyZOSHSTTYLPNMSH-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 119222158) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
PubChem CID119222158
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccccc1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C16H17NO4/c1-10-6-4-5-7-13(10)15(18)17(3)9-12-8-14(16(19)20)11(2)21-12/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyZOSHSTTYLPNMSH-UHFFFAOYSA-N
XLogP2.87
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522914
2-methyl-5-[[methyl-(2-methyl-4-nitrobenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222807
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
2-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 125132026
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid (CID 119222158) is 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid is Cc1ccccc1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is ZOSHSTTYLPNMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-6-4-5-7-13(10)15(18)17(3)9-12-8-14(16(19)20)11(2)21-12/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119222158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).