ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium

C23H31N4O3+ — CID 9433318

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-4-24-21(28)15-27(5-2)16-22(29)26-20-14-10-9-13-19(20)23(30)25-17(3)18-11-7-6-8-12-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,28)(H,25,30)(H,26,29)/p+1/t17-/m1/s1
InChIKeyQZUAIGYRELTDDP-QGZVFWFLSA-O
MW411.53 g/mol
LogP1.16
Rot. Bonds10

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium (PubChem CID 9433318) has the molecular formula C23H31N4O3+ and a molecular weight of 411.53 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium
PubChem CID9433318
Molecular FormulaC23H31N4O3+
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-4-24-21(28)15-27(5-2)16-22(29)26-20-14-10-9-13-19(20)23(30)25-17(3)18-11-7-6-8-12-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,28)(H,25,30)(H,26,29)/p+1/t17-/m1/s1
InChIKeyQZUAIGYRELTDDP-QGZVFWFLSA-O
XLogP1.16
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium with MolForge

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Related Compounds

2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium (CID 9433318) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium?
The InChIKey is QZUAIGYRELTDDP-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H30N4O3/c1-4-24-21(28)15-27(5-2)16-22(29)26-20-14-10-9-13-19(20)23(30)25-17(3)18-11-7-6-8-12-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,28)(H,25,30)(H,26,29)/p+1/t17-/m1/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium has a molecular weight of 411.53 g/mol, XLogP of 1.16, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]azanium is sourced from PubChem (CID 9433318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).