butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate

C17H19NO4 — CID 2163924

IUPACbutyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H19NO4/c1-3-4-10-22-17(20)13-5-7-14(8-6-13)18-16(19)15-9-11-21-12(15)2/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyKCPZCWVTJBSBGN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.80
Rot. Bonds6

About butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate

butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 2163924) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
PubChem CID2163924
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namebutyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C17H19NO4/c1-3-4-10-22-17(20)13-5-7-14(8-6-13)18-16(19)15-9-11-21-12(15)2/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyKCPZCWVTJBSBGN-UHFFFAOYSA-N
XLogP3.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.80
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-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate (CID 2163924) is butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1.
What is the InChIKey of butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is KCPZCWVTJBSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-4-10-22-17(20)13-5-7-14(8-6-13)18-16(19)15-9-11-21-12(15)2/h5-9,11H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 301.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 2163924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).