methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate

C20H24N2O3 — CID 33097599

IUPACmethyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(13-16-8-5-4-6-9-16)14-19(23)21-18-11-7-10-17(12-18)20(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyHTOSZAZFWCXWBE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds7

About methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate

methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate (PubChem CID 33097599) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
PubChem CID33097599
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(13-16-8-5-4-6-9-16)14-19(23)21-18-11-7-10-17(12-18)20(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyHTOSZAZFWCXWBE-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-(N-acetyl-2-ethylanilino)acetyl]amino]benzoate
CID 113169158
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate (CID 33097599) is methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate?
The InChIKey is HTOSZAZFWCXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)22(13-16-8-5-4-6-9-16)14-19(23)21-18-11-7-10-17(12-18)20(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,23).
What are the key properties of methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate?
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 33097599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).