methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate

C20H21NO4 — CID 52684721

IUPACmethyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-20(23)16-7-11-18(12-8-16)25-14-19(22)21(17-9-10-17)13-15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13-14H2,1H3
InChIKeyGTHQYXCDNFVTJZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.04
Rot. Bonds7

About methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate

methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate (PubChem CID 52684721) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
PubChem CID52684721
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-20(23)16-7-11-18(12-8-16)25-14-19(22)21(17-9-10-17)13-15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13-14H2,1H3
InChIKeyGTHQYXCDNFVTJZ-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
CID 166240421
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 78845177
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenoxy)acetamide
CID 4653805
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-phenoxyacetamide
CID 7461305

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate (CID 52684721) is methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate?
The InChIKey is GTHQYXCDNFVTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-20(23)16-7-11-18(12-8-16)25-14-19(22)21(17-9-10-17)13-15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13-14H2,1H3.
What are the key properties of methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate?
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate has a molecular weight of 339.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 52684721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).