8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C20H25N3O5 — CID 58234979

IUPAC8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H25N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-12H,4-9H2,1-3H3,(H,21,26)
InChIKeyPIJPVEDSEVINJH-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.12
Rot. Bonds6

About 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58234979) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58234979
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H25N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-12H,4-9H2,1-3H3,(H,21,26)
InChIKeyPIJPVEDSEVINJH-UHFFFAOYSA-N
XLogP1.12
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58234979) is 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(=O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is PIJPVEDSEVINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-12H,4-9H2,1-3H3,(H,21,26).
What are the key properties of 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58234979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).