N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

C16H17NO4 — CID 2245730

IUPACN-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NCCOC)c(=O)oc12
InChIInChI=1S/C16H17NO4/c1-3-5-11-6-4-7-12-10-13(16(19)21-14(11)12)15(18)17-8-9-20-2/h3-4,6-7,10H,1,5,8-9H2,2H3,(H,17,18)
InChIKeyZVCADZQSJQBNLZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.90
Rot. Bonds6

About N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 2245730) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID2245730
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NCCOC)c(=O)oc12
InChIInChI=1S/C16H17NO4/c1-3-5-11-6-4-7-12-10-13(16(19)21-14(11)12)15(18)17-8-9-20-2/h3-4,6-7,10H,1,5,8-9H2,2H3,(H,17,18)
InChIKeyZVCADZQSJQBNLZ-UHFFFAOYSA-N
XLogP1.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 2245730) is N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)NCCOC)c(=O)oc12.
What is the InChIKey of N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is ZVCADZQSJQBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-5-11-6-4-7-12-10-13(16(19)21-14(11)12)15(18)17-8-9-20-2/h3-4,6-7,10H,1,5,8-9H2,2H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 2245730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).