ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium

C23H32N3O3+ — CID 9026866

IUPACethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-26(15-22(27)24-19-11-13-21(29-5)14-12-19)17(4)23(28)25-20-9-7-18(8-10-20)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1
InChIKeyZWZNMZYVRXKQNA-QGZVFWFLSA-O
MW398.53 g/mol
LogP2.69
Rot. Bonds9

About ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium (PubChem CID 9026866) has the molecular formula C23H32N3O3+ and a molecular weight of 398.53 g/mol. Its IUPAC name is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
PubChem CID9026866
Molecular FormulaC23H32N3O3+
Molecular Weight398.53 g/mol
Exact Mass398.24
IUPAC Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-26(15-22(27)24-19-11-13-21(29-5)14-12-19)17(4)23(28)25-20-9-7-18(8-10-20)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1
InChIKeyZWZNMZYVRXKQNA-QGZVFWFLSA-O
XLogP2.69
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium with MolForge

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Related Compounds

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9027123
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 11935746
[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9026853
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738
(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538151
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium?
The IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium (CID 9026866) is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium?
The InChIKey is ZWZNMZYVRXKQNA-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H31N3O3/c1-6-26(15-22(27)24-19-11-13-21(29-5)14-12-19)17(4)23(28)25-20-9-7-18(8-10-20)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1.
What are the key properties of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium?
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium has a molecular weight of 398.53 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium is sourced from PubChem (CID 9026866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).