N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

C17H19NO3 — CID 793678

IUPACN,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12
InChIInChI=1S/C17H19NO3/c1-4-8-12-9-7-10-13-11-14(17(20)21-15(12)13)16(19)18(5-2)6-3/h4,7,9-11H,1,5-6,8H2,2-3H3
InChIKeyILORJAMVXUFWIF-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.00
Rot. Bonds5

About N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 793678) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID793678
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12
InChIInChI=1S/C17H19NO3/c1-4-8-12-9-7-10-13-11-14(17(20)21-15(12)13)16(19)18(5-2)6-3/h4,7,9-11H,1,5-6,8H2,2-3H3
InChIKeyILORJAMVXUFWIF-UHFFFAOYSA-N
XLogP3.00
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 793678) is N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12.
What is the InChIKey of N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is ILORJAMVXUFWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-8-12-9-7-10-13-11-14(17(20)21-15(12)13)16(19)18(5-2)6-3/h4,7,9-11H,1,5-6,8H2,2-3H3.
What are the key properties of N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 793678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).