methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate

C16H21NO5 — CID 47069669

IUPACmethyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1OCC(=O)NC(C)C1CC1
InChIInChI=1S/C16H21NO5/c1-10(11-4-5-11)17-15(18)9-22-14-7-6-12(20-2)8-13(14)16(19)21-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyNWLHCOGJDVTFHL-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.78
Rot. Bonds7

About methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate

methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate (PubChem CID 47069669) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
PubChem CID47069669
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1OCC(=O)NC(C)C1CC1
InChIInChI=1S/C16H21NO5/c1-10(11-4-5-11)17-15(18)9-22-14-7-6-12(20-2)8-13(14)16(19)21-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyNWLHCOGJDVTFHL-UHFFFAOYSA-N
XLogP1.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate
CID 51924023
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809046
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
3-chloro-4-[2-(1-cyclopropylethylamino)-2-oxoethoxy]benzoic acid
CID 45303918
2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242
N-[(1S)-1-cyclopropylethyl]-2-naphthalen-1-yloxyacetamide
CID 9014883
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540784

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate?
The IUPAC name of methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate (CID 47069669) is methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1OCC(=O)NC(C)C1CC1.
What is the InChIKey of methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate?
The InChIKey is NWLHCOGJDVTFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-10(11-4-5-11)17-15(18)9-22-14-7-6-12(20-2)8-13(14)16(19)21-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate?
methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate has a molecular weight of 307.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate is sourced from PubChem (CID 47069669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).