3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate

C18H15NO6 — CID 19182205

IUPAC3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
SMILESO=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccco1
InChIInChI=1S/C18H15NO6/c20-16(13-11-12-5-1-2-6-14(12)25-17(13)21)19-8-4-10-24-18(22)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20)
InChIKeyWFPTYHWIQJYPRR-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.36
Rot. Bonds6

About 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate

3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate (PubChem CID 19182205) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate.

Molecular Properties

Compound Name3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
PubChem CID19182205
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
SMILESO=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccco1
InChIInChI=1S/C18H15NO6/c20-16(13-11-12-5-1-2-6-14(12)25-17(13)21)19-8-4-10-24-18(22)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20)
InChIKeyWFPTYHWIQJYPRR-UHFFFAOYSA-N
XLogP2.36
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate
CID 19182213
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(4-propan-2-ylphenoxy)acetate
CID 19179789
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(2,4-dibromophenoxy)acetate
CID 19179701
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate?
The IUPAC name of 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate (CID 19182205) is 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate.
What is the SMILES notation for 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate?
The canonical SMILES for 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate is O=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccco1.
What is the InChIKey of 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate?
The InChIKey is WFPTYHWIQJYPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c20-16(13-11-12-5-1-2-6-14(12)25-17(13)21)19-8-4-10-24-18(22)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20).
What are the key properties of 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate?
3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate is sourced from PubChem (CID 19182205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).