butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate

C22H23NO5 — CID 51065492

IUPACbutyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H23NO5/c1-4-5-12-27-22(25)15-6-8-16(9-7-15)23-21(24)20-14(2)28-19-11-10-17(26-3)13-18(19)20/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQOCJODFFNWOFTF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.96
Rot. Bonds7

About butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate

butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate (PubChem CID 51065492) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
PubChem CID51065492
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Namebutyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H23NO5/c1-4-5-12-27-22(25)15-6-8-16(9-7-15)23-21(24)20-14(2)28-19-11-10-17(26-3)13-18(19)20/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQOCJODFFNWOFTF-UHFFFAOYSA-N
XLogP4.96
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

butyl 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 5061732
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
butyl 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 9084168
N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065498
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate (CID 51065492) is butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1.
What is the InChIKey of butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate?
The InChIKey is QOCJODFFNWOFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-4-5-12-27-22(25)15-6-8-16(9-7-15)23-21(24)20-14(2)28-19-11-10-17(26-3)13-18(19)20/h6-11,13H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate?
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 51065492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).