2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C17H26N2O5 — CID 17442487

IUPAC2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCOC(C)C2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O5/c1-12-10-19(5-6-24-12)11-16(20)18-9-13-7-14(21-2)17(23-4)15(8-13)22-3/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,20)
InChIKeyJAVPFLBKQIESER-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.05
Rot. Bonds7

About 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 17442487) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID17442487
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCOC(C)C2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O5/c1-12-10-19(5-6-24-12)11-16(20)18-9-13-7-14(21-2)17(23-4)15(8-13)22-3/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,20)
InChIKeyJAVPFLBKQIESER-UHFFFAOYSA-N
XLogP1.05
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-(2-hydroxyethyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 43509621
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46558741

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 17442487) is 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN2CCOC(C)C2)cc(OC)c1OC.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is JAVPFLBKQIESER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-12-10-19(5-6-24-12)11-16(20)18-9-13-7-14(21-2)17(23-4)15(8-13)22-3/h7-8,12H,5-6,9-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 338.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 17442487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).