8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide

C20H21N3O5 — CID 121119543

IUPAC8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3cnc(CC)cc3=O)c(=O)oc12
InChIInChI=1S/C20H21N3O5/c1-3-14-11-17(24)23(12-22-14)9-8-21-19(25)15-10-13-6-5-7-16(27-4-2)18(13)28-20(15)26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25)
InChIKeyVXJVRUZXPPMPER-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.74
Rot. Bonds7

About 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide

8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 121119543) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID121119543
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCn3cnc(CC)cc3=O)c(=O)oc12
InChIInChI=1S/C20H21N3O5/c1-3-14-11-17(24)23(12-22-14)9-8-21-19(25)15-10-13-6-5-7-16(27-4-2)18(13)28-20(15)26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25)
InChIKeyVXJVRUZXPPMPER-UHFFFAOYSA-N
XLogP1.74
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 121120267
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide (CID 121119543) is 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCCn3cnc(CC)cc3=O)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is VXJVRUZXPPMPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-14-11-17(24)23(12-22-14)9-8-21-19(25)15-10-13-6-5-7-16(27-4-2)18(13)28-20(15)26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25).
What are the key properties of 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121119543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).