N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide

C16H20N2O4 — CID 54688403

IUPACN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)10-9-17-15(20)13-14(19)11-7-5-6-8-12(11)22-16(13)21/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyOGWJLWKFDHLZHV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide

N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54688403) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54688403
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)10-9-17-15(20)13-14(19)11-7-5-6-8-12(11)22-16(13)21/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyOGWJLWKFDHLZHV-UHFFFAOYSA-N
XLogP1.57
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide (CID 54688403) is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide is CCN(CC)CCNC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is OGWJLWKFDHLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-18(4-2)10-9-17-15(20)13-14(19)11-7-5-6-8-12(11)22-16(13)21/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide?
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54688403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).