methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate

C15H23N3O3 — CID 104824482

IUPACmethyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
SMILESCCCNC(=O)CN(C)Cc1cccc(N)c1C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-4-8-17-13(19)10-18(2)9-11-6-5-7-12(16)14(11)15(20)21-3/h5-7H,4,8-10,16H2,1-3H3,(H,17,19)
InChIKeyFXKHTMSALAFTKT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.01
Rot. Bonds7

About methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate

methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate (PubChem CID 104824482) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
PubChem CID104824482
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
SMILESCCCNC(=O)CN(C)Cc1cccc(N)c1C(=O)OC
InChIInChI=1S/C15H23N3O3/c1-4-8-17-13(19)10-18(2)9-11-6-5-7-12(16)14(11)15(20)21-3/h5-7H,4,8-10,16H2,1-3H3,(H,17,19)
InChIKeyFXKHTMSALAFTKT-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
methyl 2-amino-6-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzoate
CID 106914531
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308
methyl 2-amino-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoate
CID 104824344
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
methyl 2-amino-3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 115545185
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate (CID 104824482) is methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate is CCCNC(=O)CN(C)Cc1cccc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate?
The InChIKey is FXKHTMSALAFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-8-17-13(19)10-18(2)9-11-6-5-7-12(16)14(11)15(20)21-3/h5-7H,4,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate?
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate has a molecular weight of 293.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate is sourced from PubChem (CID 104824482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).