methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate

C14H20N2O3 — CID 43216141

IUPACmethyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-11-5-7-12(8-6-11)14(18)19-4/h5-8H,9-10H2,1-4H3
InChIKeyLIJYLAWWGKVMSQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds5

About methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate

methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate (PubChem CID 43216141) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
PubChem CID43216141
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-11-5-7-12(8-6-11)14(18)19-4/h5-8H,9-10H2,1-4H3
InChIKeyLIJYLAWWGKVMSQ-UHFFFAOYSA-N
XLogP0.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 4-[[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]methyl]benzoate
CID 8712059
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 43214630
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 4-[[methyl(methylsulfonyl)amino]methyl]benzoate
CID 54485631
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate (CID 43216141) is methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)CC(=O)N(C)C)cc1.
What is the InChIKey of methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate?
The InChIKey is LIJYLAWWGKVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-11-5-7-12(8-6-11)14(18)19-4/h5-8H,9-10H2,1-4H3.
What are the key properties of methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate?
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate has a molecular weight of 264.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate is sourced from PubChem (CID 43216141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).