hexyl 4-(furan-2-carbonylamino)benzoate

C18H21NO4 — CID 19170342

IUPAChexyl 4-(furan-2-carbonylamino)benzoate
SMILESCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-2-3-4-5-12-23-18(21)14-8-10-15(11-9-14)19-17(20)16-7-6-13-22-16/h6-11,13H,2-5,12H2,1H3,(H,19,20)
InChIKeyPKSCEGVQZZSGCW-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.27
Rot. Bonds8

About hexyl 4-(furan-2-carbonylamino)benzoate

hexyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 19170342) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is hexyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Namehexyl 4-(furan-2-carbonylamino)benzoate
PubChem CID19170342
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namehexyl 4-(furan-2-carbonylamino)benzoate
SMILESCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-2-3-4-5-12-23-18(21)14-8-10-15(11-9-14)19-17(20)16-7-6-13-22-16/h6-11,13H,2-5,12H2,1H3,(H,19,20)
InChIKeyPKSCEGVQZZSGCW-UHFFFAOYSA-N
XLogP4.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.27
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

heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
(4-pentoxycarbonylphenyl) furan-2-carboxylate
CID 4024442
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
pentyl 4-[[2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 3767883

Frequently Asked Questions

What is the IUPAC name of hexyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of hexyl 4-(furan-2-carbonylamino)benzoate (CID 19170342) is hexyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for hexyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for hexyl 4-(furan-2-carbonylamino)benzoate is CCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of hexyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is PKSCEGVQZZSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-3-4-5-12-23-18(21)14-8-10-15(11-9-14)19-17(20)16-7-6-13-22-16/h6-11,13H,2-5,12H2,1H3,(H,19,20).
What are the key properties of hexyl 4-(furan-2-carbonylamino)benzoate?
hexyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 315.37 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 19170342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).