methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate

C16H17NO4 — CID 26720131

IUPACmethyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C16H17NO4/c1-9-10(2)21-11(3)14(9)15(18)17-13-7-5-12(6-8-13)16(19)20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyZASMXOKOBKGZPN-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.24
Rot. Bonds3

About methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate

methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate (PubChem CID 26720131) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
PubChem CID26720131
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C16H17NO4/c1-9-10(2)21-11(3)14(9)15(18)17-13-7-5-12(6-8-13)16(19)20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyZASMXOKOBKGZPN-UHFFFAOYSA-N
XLogP3.24
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
N-(4-carbamothioylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65152789
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate
CID 132529149
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate (CID 26720131) is methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate?
The InChIKey is ZASMXOKOBKGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-10(2)21-11(3)14(9)15(18)17-13-7-5-12(6-8-13)16(19)20-4/h5-8H,1-4H3,(H,17,18).
What are the key properties of methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate?
methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate has a molecular weight of 287.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 26720131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).