(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

C20H25N2O4+ — CID 8799417

IUPAC(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)/p+1
InChIKeyVMEGMURCBORISX-UHFFFAOYSA-O
MW357.43 g/mol
LogP1.53
Rot. Bonds8

About (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium

(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8799417) has the molecular formula C20H25N2O4+ and a molecular weight of 357.43 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
PubChem CID8799417
Molecular FormulaC20H25N2O4+
Molecular Weight357.43 g/mol
Exact Mass357.18
IUPAC Name(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)/p+1
InChIKeyVMEGMURCBORISX-UHFFFAOYSA-O
XLogP1.53
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 9003143
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium (CID 8799417) is (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is VMEGMURCBORISX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium?
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 357.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8799417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).