heptyl 4-(furan-2-carbonylamino)benzoate

C19H23NO4 — CID 565794

IUPACheptyl 4-(furan-2-carbonylamino)benzoate
SMILESCCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-2-3-4-5-6-13-24-19(22)15-9-11-16(12-10-15)20-18(21)17-8-7-14-23-17/h7-12,14H,2-6,13H2,1H3,(H,20,21)
InChIKeyNXSMOUUWEYAXRW-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.66
Rot. Bonds9

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

heptyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 565794) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is heptyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameheptyl 4-(furan-2-carbonylamino)benzoate
PubChem CID565794
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameheptyl 4-(furan-2-carbonylamino)benzoate
SMILESCCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-2-3-4-5-6-13-24-19(22)15-9-11-16(12-10-15)20-18(21)17-8-7-14-23-17/h7-12,14H,2-6,13H2,1H3,(H,20,21)
InChIKeyNXSMOUUWEYAXRW-UHFFFAOYSA-N
XLogP4.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.66
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

hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
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 heptyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of heptyl 4-(furan-2-carbonylamino)benzoate (CID 565794) is heptyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for heptyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for heptyl 4-(furan-2-carbonylamino)benzoate is CCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of heptyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is NXSMOUUWEYAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-3-4-5-6-13-24-19(22)15-9-11-16(12-10-15)20-18(21)17-8-7-14-23-17/h7-12,14H,2-6,13H2,1H3,(H,20,21).
What are the key properties of heptyl 4-(furan-2-carbonylamino)benzoate?
heptyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 329.40 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 565794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).