ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate

C19H21ClN2O4 — CID 86589882

IUPACethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(Cc1c(N)cccc1OC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-3-26-18(23)12-22(19(24)13-7-9-14(20)10-8-13)11-15-16(21)5-4-6-17(15)25-2/h4-10H,3,11-12,21H2,1-2H3
InChIKeyVHNWVGJDQFOOBL-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.14
Rot. Bonds7

About ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate

ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate (PubChem CID 86589882) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate
PubChem CID86589882
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Nameethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(Cc1c(N)cccc1OC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-3-26-18(23)12-22(19(24)13-7-9-14(20)10-8-13)11-15-16(21)5-4-6-17(15)25-2/h4-10H,3,11-12,21H2,1-2H3
InChIKeyVHNWVGJDQFOOBL-UHFFFAOYSA-N
XLogP3.14
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate (CID 86589882) is ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate is CCOC(=O)CN(Cc1c(N)cccc1OC)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate?
The InChIKey is VHNWVGJDQFOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-26-18(23)12-22(19(24)13-7-9-14(20)10-8-13)11-15-16(21)5-4-6-17(15)25-2/h4-10H,3,11-12,21H2,1-2H3.
What are the key properties of ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate?
ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate has a molecular weight of 376.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-6-methoxyphenyl)methyl-(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 86589882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).