8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

C17H20N2O4 — CID 100794305

IUPAC8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCCN3CCOCC3)c(=O)oc12
InChIInChI=1S/C17H20N2O4/c1-12-3-2-4-13-11-14(17(21)23-15(12)13)16(20)18-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyGOYSSZDTZUNPCU-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.16
Rot. Bonds4

About 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 100794305) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID100794305
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCCN3CCOCC3)c(=O)oc12
InChIInChI=1S/C17H20N2O4/c1-12-3-2-4-13-11-14(17(21)23-15(12)13)16(20)18-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyGOYSSZDTZUNPCU-UHFFFAOYSA-N
XLogP1.16
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (CID 100794305) is 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is Cc1cccc2cc(C(=O)NCCN3CCOCC3)c(=O)oc12.
What is the InChIKey of 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is GOYSSZDTZUNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-3-2-4-13-11-14(17(21)23-15(12)13)16(20)18-5-6-19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,18,20).
What are the key properties of 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).