methyl 2-[(2-benzylbenzoyl)amino]acetate

C17H17NO3 — CID 78800072

IUPACmethyl 2-[(2-benzylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16(19)12-18-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyKJZASCFJASEAJD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds5

About methyl 2-[(2-benzylbenzoyl)amino]acetate

methyl 2-[(2-benzylbenzoyl)amino]acetate (PubChem CID 78800072) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-[(2-benzylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-benzylbenzoyl)amino]acetate
PubChem CID78800072
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[(2-benzylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16(19)12-18-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyKJZASCFJASEAJD-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[(2-benzoylbenzoyl)amino]acetate
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2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
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methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
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2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
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4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
CID 19838192
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
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CID 51316857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-benzylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-benzylbenzoyl)amino]acetate (CID 78800072) is methyl 2-[(2-benzylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-benzylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-benzylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2-benzylbenzoyl)amino]acetate?
The InChIKey is KJZASCFJASEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-16(19)12-18-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of methyl 2-[(2-benzylbenzoyl)amino]acetate?
methyl 2-[(2-benzylbenzoyl)amino]acetate has a molecular weight of 283.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-benzylbenzoyl)amino]acetate is sourced from PubChem (CID 78800072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).