(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone

C16H23NO4 — CID 79663278

IUPAC(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H23NO4/c1-4-7-17-8-9-21-15(11-17)16(18)13-10-12(19-2)5-6-14(13)20-3/h5-6,10,15H,4,7-9,11H2,1-3H3
InChIKeyHMBDGJYCMMSWEN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds6

About (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone

(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 79663278) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
PubChem CID79663278
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H23NO4/c1-4-7-17-8-9-21-15(11-17)16(18)13-10-12(19-2)5-6-14(13)20-3/h5-6,10,15H,4,7-9,11H2,1-3H3
InChIKeyHMBDGJYCMMSWEN-UHFFFAOYSA-N
XLogP2.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone (CID 79663278) is (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cc(OC)ccc2OC)C1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is HMBDGJYCMMSWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-7-17-8-9-21-15(11-17)16(18)13-10-12(19-2)5-6-14(13)20-3/h5-6,10,15H,4,7-9,11H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone?
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 293.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 79663278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).