methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate

C17H24N2O4 — CID 108512395

IUPACmethyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H24N2O4/c1-4-6-12-19(11-5-2)16(21)15(20)18-14-10-8-7-9-13(14)17(22)23-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyXXGDDRBNTCRJGN-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds7

About methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate

methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate (PubChem CID 108512395) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
PubChem CID108512395
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H24N2O4/c1-4-6-12-19(11-5-2)16(21)15(20)18-14-10-8-7-9-13(14)17(22)23-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyXXGDDRBNTCRJGN-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512391
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate (CID 108512395) is methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate is CCCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate?
The InChIKey is XXGDDRBNTCRJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-6-12-19(11-5-2)16(21)15(20)18-14-10-8-7-9-13(14)17(22)23-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate has a molecular weight of 320.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).