butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate

C23H23NO4 — CID 16650686

IUPACbutyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H23NO4/c1-3-4-14-27-23(26)18-10-12-19(13-11-18)24-22(25)20-15-21(28-16(20)2)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyKYCFLGZOLPPKJT-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.46
Rot. Bonds7

About butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate

butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate (PubChem CID 16650686) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
PubChem CID16650686
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namebutyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H23NO4/c1-3-4-14-27-23(26)18-10-12-19(13-11-18)24-22(25)20-15-21(28-16(20)2)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyKYCFLGZOLPPKJT-UHFFFAOYSA-N
XLogP5.46
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 66497900
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
2-methyl-5-phenyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 2864448
butyl 4-[[5-amino-2-(dimethylamino)benzoyl]amino]benzoate
CID 91683073
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate (CID 16650686) is butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate?
The InChIKey is KYCFLGZOLPPKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-4-14-27-23(26)18-10-12-19(13-11-18)24-22(25)20-15-21(28-16(20)2)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,24,25).
What are the key properties of butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate?
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate has a molecular weight of 377.44 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 16650686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).