6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide

C25H28N2O4 — CID 35574653

IUPAC6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-18-6-9-23-20(14-18)22(28)15-24(31-23)25(29)26-16-21(27-10-12-30-13-11-27)19-7-4-17(2)5-8-19/h4-9,14-15,21H,3,10-13,16H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyCFCVGBUKGGYVDN-NRFANRHFSA-N
MW420.51 g/mol
LogP3.47
Rot. Bonds6

About 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide

6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 35574653) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID35574653
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-18-6-9-23-20(14-18)22(28)15-24(31-23)25(29)26-16-21(27-10-12-30-13-11-27)19-7-4-17(2)5-8-19/h4-9,14-15,21H,3,10-13,16H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyCFCVGBUKGGYVDN-NRFANRHFSA-N
XLogP3.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 45155279
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 45155229
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide (CID 35574653) is 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is CFCVGBUKGGYVDN-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-18-6-9-23-20(14-18)22(28)15-24(31-23)25(29)26-16-21(27-10-12-30-13-11-27)19-7-4-17(2)5-8-19/h4-9,14-15,21H,3,10-13,16H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide?
6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35574653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).