3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide

C19H22N2O3 — CID 110720426

IUPAC3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(C3CN(C)CCO3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-21-9-10-24-18(13-21)14-5-3-7-16(11-14)20-19(22)15-6-4-8-17(12-15)23-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyYQJBUMASMQNRKF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.95
Rot. Bonds4

About 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide

3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide (PubChem CID 110720426) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
PubChem CID110720426
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(C3CN(C)CCO3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-21-9-10-24-18(13-21)14-5-3-7-16(11-14)20-19(22)15-6-4-8-17(12-15)23-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyYQJBUMASMQNRKF-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide (CID 110720426) is 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(C3CN(C)CCO3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The InChIKey is YQJBUMASMQNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21-9-10-24-18(13-21)14-5-3-7-16(11-14)20-19(22)15-6-4-8-17(12-15)23-2/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide is sourced from PubChem (CID 110720426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).