methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate

C14H20N2O3 — CID 79196270

IUPACmethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C14H20N2O3/c1-9(8-15-3)13(17)16-12-7-5-6-11(10(12)2)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyRAZSBXPZHIRSRH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate

methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate (PubChem CID 79196270) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
PubChem CID79196270
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C14H20N2O3/c1-9(8-15-3)13(17)16-12-7-5-6-11(10(12)2)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyRAZSBXPZHIRSRH-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 26076182
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate (CID 79196270) is methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate is CNCC(C)C(=O)Nc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate?
The InChIKey is RAZSBXPZHIRSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(8-15-3)13(17)16-12-7-5-6-11(10(12)2)14(18)19-4/h5-7,9,15H,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate?
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate is sourced from PubChem (CID 79196270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).