methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate

C22H21NO5 — CID 1269693

IUPACmethyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C22H21NO5/c1-14-10-15(2)12-17(11-14)27-13-16-8-9-20(28-16)21(24)23-19-7-5-4-6-18(19)22(25)26-3/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyGZGFDVPMTDXICR-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.51
Rot. Bonds6

About methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate

methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate (PubChem CID 1269693) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
PubChem CID1269693
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Namemethyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C22H21NO5/c1-14-10-15(2)12-17(11-14)27-13-16-8-9-20(28-16)21(24)23-19-7-5-4-6-18(19)22(25)26-3/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyGZGFDVPMTDXICR-UHFFFAOYSA-N
XLogP4.51
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate (CID 1269693) is methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1.
What is the InChIKey of methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The InChIKey is GZGFDVPMTDXICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-14-10-15(2)12-17(11-14)27-13-16-8-9-20(28-16)21(24)23-19-7-5-4-6-18(19)22(25)26-3/h4-12H,13H2,1-3H3,(H,23,24).
What are the key properties of methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate has a molecular weight of 379.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 1269693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).