methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate

C14H20N2O3 — CID 43409765

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

About methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate

methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate (PubChem CID 43409765) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
PubChem CID43409765
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(CN(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)9-11-5-7-12(8-6-11)14(18)16(3)10-13(17)19-4/h5-8H,9-10H2,1-4H3
InChIKeyPOSXIHJROSLIHU-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 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
CID 43407543
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate (CID 43409765) is methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(CN(C)C)cc1.
What is the InChIKey of methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate?
The InChIKey is POSXIHJROSLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)9-11-5-7-12(8-6-11)14(18)16(3)10-13(17)19-4/h5-8H,9-10H2,1-4H3.
What are the key properties of methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate?
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate 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 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate is sourced from PubChem (CID 43409765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).