2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate

C23H20NO4- — CID 2311637

IUPAC2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
SMILESCc1ccccc1OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-]
InChIInChI=1S/C23H21NO4/c1-17-9-5-8-14-21(17)28-16-22(25)24(15-18-10-3-2-4-11-18)20-13-7-6-12-19(20)23(26)27/h2-14H,15-16H2,1H3,(H,26,27)/p-1
InChIKeyJMVQYNGTYXKJGS-UHFFFAOYSA-M
MW374.42 g/mol
LogP2.97
Rot. Bonds7

About 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate

2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate (PubChem CID 2311637) has the molecular formula C23H20NO4- and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
PubChem CID2311637
Molecular FormulaC23H20NO4-
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
SMILESCc1ccccc1OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-]
InChIInChI=1S/C23H21NO4/c1-17-9-5-8-14-21(17)28-16-22(25)24(15-18-10-3-2-4-11-18)20-13-7-6-12-19(20)23(26)27/h2-14H,15-16H2,1H3,(H,26,27)/p-1
InChIKeyJMVQYNGTYXKJGS-UHFFFAOYSA-M
XLogP2.97
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 45346953
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
CID 2310232
sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 131929748
2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
(2S)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100522106

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate (CID 2311637) is 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate is Cc1ccccc1OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is JMVQYNGTYXKJGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21NO4/c1-17-9-5-8-14-21(17)28-16-22(25)24(15-18-10-3-2-4-11-18)20-13-7-6-12-19(20)23(26)27/h2-14H,15-16H2,1H3,(H,26,27)/p-1.
What are the key properties of 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate?
2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 374.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 2311637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).