(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone

C17H19NO4 — CID 1115275

IUPAC(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2cc(OC)c(C(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C17H19NO4/c1-20-14-4-3-12-11-16(21-2)15(10-13(12)9-14)17(19)18-5-7-22-8-6-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBJDQIIWPURNLPQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.33
Rot. Bonds3

About (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone

(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone (PubChem CID 1115275) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone
PubChem CID1115275
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2cc(OC)c(C(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C17H19NO4/c1-20-14-4-3-12-11-16(21-2)15(10-13(12)9-14)17(19)18-5-7-22-8-6-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBJDQIIWPURNLPQ-UHFFFAOYSA-N
XLogP2.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone (CID 1115275) is (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone is COc1ccc2cc(OC)c(C(=O)N3CCOCC3)cc2c1.
What is the InChIKey of (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is BJDQIIWPURNLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-14-4-3-12-11-16(21-2)15(10-13(12)9-14)17(19)18-5-7-22-8-6-18/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone?
(3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 301.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1115275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).