methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate

C18H27NO6 — CID 11624530

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCc1ccc(OC)c(OC(C)C)c1)CC(=O)OC
InChIInChI=1S/C18H27NO6/c1-13(2)25-16-10-14(6-7-15(16)22-3)8-9-19(11-17(20)23-4)12-18(21)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3
InChIKeyQSPCOSNWXUIRRH-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.67
Rot. Bonds10

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate (PubChem CID 11624530) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate
PubChem CID11624530
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCc1ccc(OC)c(OC(C)C)c1)CC(=O)OC
InChIInChI=1S/C18H27NO6/c1-13(2)25-16-10-14(6-7-15(16)22-3)8-9-19(11-17(20)23-4)12-18(21)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3
InChIKeyQSPCOSNWXUIRRH-UHFFFAOYSA-N
XLogP1.67
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate with MolForge

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Related Compounds

4-(4-methoxy-3-propan-2-yloxyphenyl)-2-oxobutanoic acid
CID 82185777
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate (CID 11624530) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate is COC(=O)CN(CCc1ccc(OC)c(OC(C)C)c1)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate?
The InChIKey is QSPCOSNWXUIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO6/c1-13(2)25-16-10-14(6-7-15(16)22-3)8-9-19(11-17(20)23-4)12-18(21)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate has a molecular weight of 353.42 g/mol, XLogP of 1.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methoxy-3-propan-2-yloxyphenyl)ethyl]amino]acetate is sourced from PubChem (CID 11624530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).