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

C12H16N2O3 — CID 27682246

IUPACmethyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N2O3/c1-14(2)10-6-4-9(5-7-10)12(16)13-8-11(15)17-3/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyRQNHDBWYEUOALF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.66
Rot. Bonds4

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

methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate (PubChem CID 27682246) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
PubChem CID27682246
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N2O3/c1-14(2)10-6-4-9(5-7-10)12(16)13-8-11(15)17-3/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyRQNHDBWYEUOALF-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
CID 47033100
(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 110670232
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-(dimethylamino)-N-[3-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]benzamide;methylsulfanylmethane
CID 143181882
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate (CID 27682246) is methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The InChIKey is RQNHDBWYEUOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(2)10-6-4-9(5-7-10)12(16)13-8-11(15)17-3/h4-7H,8H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate?
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate has a molecular weight of 236.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate is sourced from PubChem (CID 27682246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).