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

C24H25NO4 — CID 16650811

IUPACbutyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C24H25NO4/c1-4-5-14-28-24(27)19-10-12-20(13-11-19)25-23(26)21-15-22(29-17(21)3)18-8-6-16(2)7-9-18/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)
InChIKeyNCYWVCKNGRZOFA-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.77
Rot. Bonds7

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

butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate (PubChem CID 16650811) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
PubChem CID16650811
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namebutyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C24H25NO4/c1-4-5-14-28-24(27)19-10-12-20(13-11-19)25-23(26)21-15-22(29-17(21)3)18-8-6-16(2)7-9-18/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)
InChIKeyNCYWVCKNGRZOFA-UHFFFAOYSA-N
XLogP5.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
butyl 4-[[6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 17257826
butyl 4-[[5-amino-2-(dimethylamino)benzoyl]amino]benzoate
CID 91683073
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 16651497
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate (CID 16650811) is butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1.
What is the InChIKey of butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate?
The InChIKey is NCYWVCKNGRZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-5-14-28-24(27)19-10-12-20(13-11-19)25-23(26)21-15-22(29-17(21)3)18-8-6-16(2)7-9-18/h6-13,15H,4-5,14H2,1-3H3,(H,25,26).
What are the key properties of butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate?
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate has a molecular weight of 391.47 g/mol, XLogP of 5.77, 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-(4-methylphenyl)furan-3-carbonyl]amino]benzoate is sourced from PubChem (CID 16650811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).