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

C14H20N2O3 — CID 43778098

IUPACmethyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-11-7-5-6-8-12(11)14(18)19-4/h5-8,10,15H,9H2,1-4H3
InChIKeyAZZXPIVWTKADPG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds5

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

methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate (PubChem CID 43778098) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
PubChem CID43778098
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-11-7-5-6-8-12(11)14(18)19-4/h5-8,10,15H,9H2,1-4H3
InChIKeyAZZXPIVWTKADPG-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
CID 61498557
methyl 2-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 115905036
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
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 2-[(4,4,4-trifluorobutan-2-ylamino)methyl]benzoate
CID 113472107
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The IUPAC name of methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate (CID 43778098) is methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate is COC(=O)c1ccccc1CNC(C)C(=O)N(C)C.
What is the InChIKey of methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The InChIKey is AZZXPIVWTKADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-11-7-5-6-8-12(11)14(18)19-4/h5-8,10,15H,9H2,1-4H3.
What are the key properties of methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate is sourced from PubChem (CID 43778098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).