(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate

C18H19NO5 — CID 14278028

IUPAC(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C18H19NO5/c1-12(20)23-17-5-6-18(24-13(2)21)16-11-14(3-4-15(16)17)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyZMGHPTROBXKEEW-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.53
Rot. Bonds3

About (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate

(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate (PubChem CID 14278028) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate
PubChem CID14278028
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/C18H19NO5/c1-12(20)23-17-5-6-18(24-13(2)21)16-11-14(3-4-15(16)17)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyZMGHPTROBXKEEW-UHFFFAOYSA-N
XLogP2.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate 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 (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate?
The IUPAC name of (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate (CID 14278028) is (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate.
What is the SMILES notation for (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate?
The canonical SMILES for (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate is CC(=O)Oc1ccc(OC(C)=O)c2cc(N3CCOCC3)ccc12.
What is the InChIKey of (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate?
The InChIKey is ZMGHPTROBXKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(20)23-17-5-6-18(24-13(2)21)16-11-14(3-4-15(16)17)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate?
(4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate has a molecular weight of 329.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-6-morpholin-4-ylnaphthalen-1-yl) acetate is sourced from PubChem (CID 14278028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).