[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

C23H30N3O4+ — CID 9303858

IUPAC[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-5-17-8-6-7-9-20(17)25-22(28)15-26(4)14-21(27)24-19-12-10-18(11-13-19)23(29)30-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyXGMJZVQCOPIZDH-UHFFFAOYSA-O
MW412.51 g/mol
LogP1.91
Rot. Bonds9

About [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (PubChem CID 9303858) has the molecular formula C23H30N3O4+ and a molecular weight of 412.51 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
PubChem CID9303858
Molecular FormulaC23H30N3O4+
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-5-17-8-6-7-9-20(17)25-22(28)15-26(4)14-21(27)24-19-12-10-18(11-13-19)23(29)30-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyXGMJZVQCOPIZDH-UHFFFAOYSA-O
XLogP1.91
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
propan-2-yl 4-[[2-(2-benzylanilino)-2-oxoethyl]amino]benzoate
CID 24583465
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8552175
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9027389
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789619
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8748286
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789289
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8556455
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (CID 9303858) is [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The InChIKey is XGMJZVQCOPIZDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O4/c1-5-17-8-6-7-9-20(17)25-22(28)15-26(4)14-21(27)24-19-12-10-18(11-13-19)23(29)30-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium has a molecular weight of 412.51 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is sourced from PubChem (CID 9303858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).