(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate

C14H19NO5 — CID 150562472

IUPAC(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO5/c1-17-12-3-4-13(18-2)11(9-12)10-20-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyIKDATMBJIMOLOL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.67
Rot. Bonds4

About (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate

(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate (PubChem CID 150562472) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
PubChem CID150562472
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO5/c1-17-12-3-4-13(18-2)11(9-12)10-20-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyIKDATMBJIMOLOL-UHFFFAOYSA-N
XLogP1.67
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate (CID 150562472) is (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate is COc1ccc(OC)c(COC(=O)N2CCOCC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate?
The InChIKey is IKDATMBJIMOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-17-12-3-4-13(18-2)11(9-12)10-20-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate?
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate is sourced from PubChem (CID 150562472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).