4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide

C19H22N2O4 — CID 126787903

IUPAC4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc3ccc(OC)cc23)CCO1
InChIInChI=1S/C19H22N2O4/c1-20-19(23)17-12-21(8-9-25-17)18(22)10-14-5-3-4-13-6-7-15(24-2)11-16(13)14/h3-7,11,17H,8-10,12H2,1-2H3,(H,20,23)
InChIKeySKDWQJXKWHKZHI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.36
Rot. Bonds4

About 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide

4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide (PubChem CID 126787903) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
PubChem CID126787903
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc3ccc(OC)cc23)CCO1
InChIInChI=1S/C19H22N2O4/c1-20-19(23)17-12-21(8-9-25-17)18(22)10-14-5-3-4-13-6-7-15(24-2)11-16(13)14/h3-7,11,17H,8-10,12H2,1-2H3,(H,20,23)
InChIKeySKDWQJXKWHKZHI-UHFFFAOYSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide (CID 126787903) is 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(C(=O)Cc2cccc3ccc(OC)cc23)CCO1.
What is the InChIKey of 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is SKDWQJXKWHKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-20-19(23)17-12-21(8-9-25-17)18(22)10-14-5-3-4-13-6-7-15(24-2)11-16(13)14/h3-7,11,17H,8-10,12H2,1-2H3,(H,20,23).
What are the key properties of 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 126787903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).