methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate

C16H22N2O4 — CID 108512458

IUPACmethyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C16H22N2O4/c1-4-10-18(11-5-2)15(20)14(19)17-13-9-7-6-8-12(13)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyKTUFJGAABVWSRN-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds6

About methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate (PubChem CID 108512458) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
PubChem CID108512458
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C16H22N2O4/c1-4-10-18(11-5-2)15(20)14(19)17-13-9-7-6-8-12(13)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyKTUFJGAABVWSRN-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-(dipropylamino)-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-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
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-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512455
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
methyl 4-chloro-3-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108986502
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate (CID 108512458) is methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate is CCCN(CCC)C(=O)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The InChIKey is KTUFJGAABVWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-10-18(11-5-2)15(20)14(19)17-13-9-7-6-8-12(13)16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).