[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate

C15H20N2O5 — CID 55473244

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCC(C)N(C)C(=O)COC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C15H20N2O5/c1-10(2)17(3)14(19)9-22-15(20)11-6-4-5-7-12(11)21-8-13(16)18/h4-7,10H,8-9H2,1-3H3,(H2,16,18)
InChIKeyLOBAYWSJDSAEPX-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.57
Rot. Bonds7

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 55473244) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID55473244
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCC(C)N(C)C(=O)COC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C15H20N2O5/c1-10(2)17(3)14(19)9-22-15(20)11-6-4-5-7-12(11)21-8-13(16)18/h4-7,10H,8-9H2,1-3H3,(H2,16,18)
InChIKeyLOBAYWSJDSAEPX-UHFFFAOYSA-N
XLogP0.57
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46647116
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
2-(2-amino-2-oxoethoxy)-N-methyl-N-(2-methylpropyl)benzamide
CID 134005920
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444360
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641142
2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
CID 172768099
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55444267
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
CID 51928084
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate (CID 55473244) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate is CC(C)N(C)C(=O)COC(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is LOBAYWSJDSAEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)17(3)14(19)9-22-15(20)11-6-4-5-7-12(11)21-8-13(16)18/h4-7,10H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 308.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 55473244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).