N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide

C18H17NO5 — CID 5263602

IUPACN-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C18H17NO5/c1-2-7-22-13-6-5-12-9-15(18(21)24-16(12)10-13)17(20)19-11-14-4-3-8-23-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,20)
InChIKeyWYCRHBYXFSLLHH-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.10
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide

N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide (PubChem CID 5263602) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
PubChem CID5263602
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C18H17NO5/c1-2-7-22-13-6-5-12-9-15(18(21)24-16(12)10-13)17(20)19-11-14-4-3-8-23-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,20)
InChIKeyWYCRHBYXFSLLHH-UHFFFAOYSA-N
XLogP3.10
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
CID 19182034
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19185233
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19182022
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] thiophene-2-carboxylate
CID 19185223
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate
CID 19180660
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
CID 134138941
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide (CID 5263602) is N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide?
The InChIKey is WYCRHBYXFSLLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-2-7-22-13-6-5-12-9-15(18(21)24-16(12)10-13)17(20)19-11-14-4-3-8-23-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide?
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 5263602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).