8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide

C19H24N2O5 — CID 58234973

IUPAC8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
SMILESCC(O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCO[C@H](C)C3)oc12
InChIInChI=1S/C19H24N2O5/c1-11-10-21(5-6-25-11)17-9-16(23)15-8-13(19(24)20(3)4)7-14(12(2)22)18(15)26-17/h7-9,11-12,22H,5-6,10H2,1-4H3/t11-,12?/m1/s1
InChIKeyJXDGFCZCHMZUQP-JHJMLUEUSA-N
MW360.41 g/mol
LogP1.77
Rot. Bonds3

About 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide

8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide (PubChem CID 58234973) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
PubChem CID58234973
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
SMILESCC(O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCO[C@H](C)C3)oc12
InChIInChI=1S/C19H24N2O5/c1-11-10-21(5-6-25-11)17-9-16(23)15-8-13(19(24)20(3)4)7-14(12(2)22)18(15)26-17/h7-9,11-12,22H,5-6,10H2,1-4H3/t11-,12?/m1/s1
InChIKeyJXDGFCZCHMZUQP-JHJMLUEUSA-N
XLogP1.77
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide?
The IUPAC name of 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide (CID 58234973) is 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide is CC(O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCO[C@H](C)C3)oc12.
What is the InChIKey of 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide?
The InChIKey is JXDGFCZCHMZUQP-JHJMLUEUSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-11-10-21(5-6-25-11)17-9-16(23)15-8-13(19(24)20(3)4)7-14(12(2)22)18(15)26-17/h7-9,11-12,22H,5-6,10H2,1-4H3/t11-,12?/m1/s1.
What are the key properties of 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide?
8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58234973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).