N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide

C18H23N3O4 — CID 134150033

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCN3CCOCC3)ccc12
InChIInChI=1S/C18H23N3O4/c1-13-10-18(23)25-16-11-14(2-3-15(13)16)20-17(22)12-19-4-5-21-6-8-24-9-7-21/h2-3,10-11,19H,4-9,12H2,1H3,(H,20,22)
InChIKeyMRDDHORDKGESRE-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.96
Rot. Bonds6

About N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 134150033) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID134150033
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCN3CCOCC3)ccc12
InChIInChI=1S/C18H23N3O4/c1-13-10-18(23)25-16-11-14(2-3-15(13)16)20-17(22)12-19-4-5-21-6-8-24-9-7-21/h2-3,10-11,19H,4-9,12H2,1H3,(H,20,22)
InChIKeyMRDDHORDKGESRE-UHFFFAOYSA-N
XLogP0.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide (CID 134150033) is N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNCCN3CCOCC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is MRDDHORDKGESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13-10-18(23)25-16-11-14(2-3-15(13)16)20-17(22)12-19-4-5-21-6-8-24-9-7-21/h2-3,10-11,19H,4-9,12H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 134150033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).