(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium

C20H24ClN2O4+ — CID 9136538

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](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)/p+1
InChIKeyWIDSUPSTPJOLSE-UHFFFAOYSA-O
MW391.88 g/mol
LogP2.18
Rot. Bonds8

About (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9136538) has the molecular formula C20H24ClN2O4+ and a molecular weight of 391.88 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID9136538
Molecular FormulaC20H24ClN2O4+
Molecular Weight391.88 g/mol
Exact Mass391.14
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](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)/p+1
InChIKeyWIDSUPSTPJOLSE-UHFFFAOYSA-O
XLogP2.18
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9136539
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9196973
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
(5-chloro-2-methoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9136510
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 9136538) is (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium is CCOC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is WIDSUPSTPJOLSE-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 391.88 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).