methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate

C14H19NO4 — CID 61498557

IUPACmethyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
SMILESCCOC(=O)C(C)NCc1ccccc1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)10(2)15-9-11-7-5-6-8-12(11)14(17)18-3/h5-8,10,15H,4,9H2,1-3H3
InChIKeyBUUULLJGSCOGAC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.51
Rot. Bonds6

About methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate

methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate (PubChem CID 61498557) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
PubChem CID61498557
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
SMILESCCOC(=O)C(C)NCc1ccccc1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)10(2)15-9-11-7-5-6-8-12(11)14(17)18-3/h5-8,10,15H,4,9H2,1-3H3
InChIKeyBUUULLJGSCOGAC-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
CID 171060467
methyl 2-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 115905036
methyl 2-[(1-phenylethylamino)methyl]benzoate
CID 43755919
methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
methyl 2-[(5-methylhexan-2-ylamino)methyl]benzoate
CID 43767169
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl 2-[(4,4,4-trifluorobutan-2-ylamino)methyl]benzoate
CID 113472107
ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688
methyl 3-bromo-4-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
CID 102766596
methyl 2-[(2-methylbutylamino)methyl]benzoate
CID 62693703

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate (CID 61498557) is methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate is CCOC(=O)C(C)NCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate?
The InChIKey is BUUULLJGSCOGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-13(16)10(2)15-9-11-7-5-6-8-12(11)14(17)18-3/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate?
methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate is sourced from PubChem (CID 61498557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).