methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate

C15H15NO5 — CID 51265623

IUPACmethyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccoc2)ccc1OC
InChIInChI=1S/C15H15NO5/c1-19-13-4-3-10(7-12(13)15(18)20-2)8-16-14(17)11-5-6-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZLULDWUWLKPBPK-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.00
Rot. Bonds5

About methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate

methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate (PubChem CID 51265623) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
PubChem CID51265623
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccoc2)ccc1OC
InChIInChI=1S/C15H15NO5/c1-19-13-4-3-10(7-12(13)15(18)20-2)8-16-14(17)11-5-6-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZLULDWUWLKPBPK-UHFFFAOYSA-N
XLogP2.00
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 18113017
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
CID 39970273
methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 166435048
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
CID 47034242
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate (CID 51265623) is methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccoc2)ccc1OC.
What is the InChIKey of methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate?
The InChIKey is ZLULDWUWLKPBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-13-4-3-10(7-12(13)15(18)20-2)8-16-14(17)11-5-6-21-9-11/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate?
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate has a molecular weight of 289.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate is sourced from PubChem (CID 51265623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).