2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide

C17H19NO5 — CID 60533521

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CCOCC3)ccc12
InChIInChI=1S/C17H19NO5/c1-11-8-17(20)23-15-9-13(2-3-14(11)15)22-10-16(19)18-12-4-6-21-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,18,19)
InChIKeyYJFBDLWBTBRLHN-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide (PubChem CID 60533521) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
PubChem CID60533521
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CCOCC3)ccc12
InChIInChI=1S/C17H19NO5/c1-11-8-17(20)23-15-9-13(2-3-14(11)15)22-10-16(19)18-12-4-6-21-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,18,19)
InChIKeyYJFBDLWBTBRLHN-UHFFFAOYSA-N
XLogP1.78
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide 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-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6723209
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide (CID 60533521) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)NC3CCOCC3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide?
The InChIKey is YJFBDLWBTBRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11-8-17(20)23-15-9-13(2-3-14(11)15)22-10-16(19)18-12-4-6-21-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide has a molecular weight of 317.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 60533521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).