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

C14H20N2O3 — CID 62025983

IUPACmethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15(2)3)16(4)12-9-7-6-8-11(12)14(18)19-5/h6-10H,1-5H3
InChIKeyKBIHUOSAXVSQCC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds4

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

methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate (PubChem CID 62025983) 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]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate
PubChem CID62025983
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15(2)3)16(4)12-9-7-6-8-11(12)14(18)19-5/h6-10H,1-5H3
InChIKeyKBIHUOSAXVSQCC-UHFFFAOYSA-N
XLogP1.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]benzoate
CID 62025985
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[methoxycarbonyl(propan-2-yl)amino]benzoate
CID 69003350
methyl 2-[1-cyanopropyl(methyl)amino]benzoate
CID 62027309
methyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71648199
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098
methyl 2-[chloro(methoxy)amino]benzoate
CID 153305529
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(dimethylcarbamoylsulfanyl)benzoate
CID 21014334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate (CID 62025983) is methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(C)C(=O)N(C)C.
What is the InChIKey of methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate?
The InChIKey is KBIHUOSAXVSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)15(2)3)16(4)12-9-7-6-8-11(12)14(18)19-5/h6-10H,1-5H3.
What are the key properties of methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate?
methyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 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]-methylamino]benzoate is sourced from PubChem (CID 62025983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).