N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide

C20H20N2O3 — CID 571380

IUPACN-[7-(diethylamino)-2-oxochromen-3-yl]benzamide
SMILESCCN(CC)c1ccc2cc(NC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-10-15-12-17(20(24)25-18(15)13-16)21-19(23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyAGQFTOFAPLGAKY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.89
Rot. Bonds5

About N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide

N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide (PubChem CID 571380) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide.

Molecular Properties

Compound NameN-[7-(diethylamino)-2-oxochromen-3-yl]benzamide
PubChem CID571380
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[7-(diethylamino)-2-oxochromen-3-yl]benzamide
SMILESCCN(CC)c1ccc2cc(NC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-10-15-12-17(20(24)25-18(15)13-16)21-19(23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyAGQFTOFAPLGAKY-UHFFFAOYSA-N
XLogP3.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide?
The IUPAC name of N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide (CID 571380) is N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide.
What is the SMILES notation for N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide?
The canonical SMILES for N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide is CCN(CC)c1ccc2cc(NC(=O)c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide?
The InChIKey is AGQFTOFAPLGAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-10-15-12-17(20(24)25-18(15)13-16)21-19(23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide?
N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(diethylamino)-2-oxochromen-3-yl]benzamide is sourced from PubChem (CID 571380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).