N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide

C16H18N2O4 — CID 49094694

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C16H18N2O4/c1-18-6-7-21-12(10-18)9-17-15(19)13-8-11-4-2-3-5-14(11)22-16(13)20/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyOWVVSBBRBVPOFG-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.85
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 49094694) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
PubChem CID49094694
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C16H18N2O4/c1-18-6-7-21-12(10-18)9-17-15(19)13-8-11-4-2-3-5-14(11)22-16(13)20/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyOWVVSBBRBVPOFG-UHFFFAOYSA-N
XLogP0.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 56717531
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
CID 16892536
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 79082124
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide (CID 49094694) is N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide is CN1CCOC(CNC(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is OWVVSBBRBVPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18-6-7-21-12(10-18)9-17-15(19)13-8-11-4-2-3-5-14(11)22-16(13)20/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 49094694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).