ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate

C20H23ClN2O4 — CID 9136539

IUPACethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-27-20(25)16-7-5-6-8-17(16)22-19(24)13-23(2)12-14-11-15(21)9-10-18(14)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyWIDSUPSTPJOLSE-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.60
Rot. Bonds8

About ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate

ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 9136539) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID9136539
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Nameethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-27-20(25)16-7-5-6-8-17(16)22-19(24)13-23(2)12-14-11-15(21)9-10-18(14)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyWIDSUPSTPJOLSE-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9136538
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
ethyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 994330
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
ethyl 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]benzoate
CID 1372928
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9136541
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (CID 9136539) is ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is WIDSUPSTPJOLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-27-20(25)16-7-5-6-8-17(16)22-19(24)13-23(2)12-14-11-15(21)9-10-18(14)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 390.87 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 9136539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).