methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate

C18H21N3O3 — CID 109001431

IUPACmethyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)CCc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)13-17(22)20-16-6-4-3-5-15(16)18(23)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyCGKHHUXVEFEXDM-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds7

About methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate (PubChem CID 109001431) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
PubChem CID109001431
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)CCc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)13-17(22)20-16-6-4-3-5-15(16)18(23)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyCGKHHUXVEFEXDM-UHFFFAOYSA-N
XLogP1.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 109001458
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
ethyl 2-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108949017
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
methyl 2-[[5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109237134
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 8766688
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8586985
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate (CID 109001431) is methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(C)CCc1ccncc1.
What is the InChIKey of methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate?
The InChIKey is CGKHHUXVEFEXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)13-17(22)20-16-6-4-3-5-15(16)18(23)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 109001431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).