methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

C18H19NO4 — CID 720624

IUPACmethyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19NO4/c1-12-5-4-6-16(13(12)2)23-11-17(20)19-15-9-7-14(8-10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyBNMIASNABAYMAV-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.11
Rot. Bonds5

About methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 720624) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID720624
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19NO4/c1-12-5-4-6-16(13(12)2)23-11-17(20)19-15-9-7-14(8-10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyBNMIASNABAYMAV-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 959330
[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
CID 7470149
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (CID 720624) is methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1.
What is the InChIKey of methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is BNMIASNABAYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-5-4-6-16(13(12)2)23-11-17(20)19-15-9-7-14(8-10-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 720624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).