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

C18H20N2O3 — CID 110670232

IUPAC(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-6-4-5-7-16(13)23-17(21)12-19-18(22)14-8-10-15(11-9-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyJFJXWYNVYNIMPR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

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

(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate (PubChem CID 110670232) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
PubChem CID110670232
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-6-4-5-7-16(13)23-17(21)12-19-18(22)14-8-10-15(11-9-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyJFJXWYNVYNIMPR-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
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

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The IUPAC name of (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate (CID 110670232) is (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate.
What is the SMILES notation for (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The canonical SMILES for (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate is Cc1ccccc1OC(=O)CNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate?
The InChIKey is JFJXWYNVYNIMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-4-5-7-16(13)23-17(21)12-19-18(22)14-8-10-15(11-9-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate?
(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate is sourced from PubChem (CID 110670232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).