N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C23H31N4O2+ — CID 8688394

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-19-9-7-8-12-21(19)24-22(28)17-25(2)23(29)18-26-13-15-27(16-14-26)20-10-5-4-6-11-20/h4-12H,3,13-18H2,1-2H3,(H,24,28)/p+1
InChIKeyIZYCJVVVYCKACI-UHFFFAOYSA-O
MW395.53 g/mol
LogP1.05
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8688394) has the molecular formula C23H31N4O2+ and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID8688394
Molecular FormulaC23H31N4O2+
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-19-9-7-8-12-21(19)24-22(28)17-25(2)23(29)18-26-13-15-27(16-14-26)20-10-5-4-6-11-20/h4-12H,3,13-18H2,1-2H3,(H,24,28)/p+1
InChIKeyIZYCJVVVYCKACI-UHFFFAOYSA-O
XLogP1.05
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8529946
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8904524
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N-(2-ethylphenyl)-2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide
CID 9022236
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773211
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 8688394) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is IZYCJVVVYCKACI-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N4O2/c1-3-19-9-7-8-12-21(19)24-22(28)17-25(2)23(29)18-26-13-15-27(16-14-26)20-10-5-4-6-11-20/h4-12H,3,13-18H2,1-2H3,(H,24,28)/p+1.
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8688394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).