methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate

C14H13NO4 — CID 114822079

IUPACmethyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2coc(C)c2)cc1
InChIInChI=1S/C14H13NO4/c1-9-7-11(8-19-9)13(16)15-12-5-3-10(4-6-12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyYABCUHQUOZYIBE-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate

methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 114822079) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
PubChem CID114822079
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2coc(C)c2)cc1
InChIInChI=1S/C14H13NO4/c1-9-7-11(8-19-9)13(16)15-12-5-3-10(4-6-12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyYABCUHQUOZYIBE-UHFFFAOYSA-N
XLogP2.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
CID 168596816
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate (CID 114822079) is methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2coc(C)c2)cc1.
What is the InChIKey of methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is YABCUHQUOZYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-7-11(8-19-9)13(16)15-12-5-3-10(4-6-12)14(17)18-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate?
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 259.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 114822079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).