[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium

C22H29N2O2+ — CID 8992030

IUPAC[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-17-6-8-19(9-7-17)22(15(2)3)23-14-21(26)24-20-12-10-18(11-13-20)16(4)25/h6-13,15,22-23H,5,14H2,1-4H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyPTFVCCJKXLMHAH-JOCHJYFZSA-O
MW353.49 g/mol
LogP3.35
Rot. Bonds8

About [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium

[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium (PubChem CID 8992030) has the molecular formula C22H29N2O2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
PubChem CID8992030
Molecular FormulaC22H29N2O2+
Molecular Weight353.49 g/mol
Exact Mass353.22
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-17-6-8-19(9-7-17)22(15(2)3)23-14-21(26)24-20-12-10-18(11-13-20)16(4)25/h6-13,15,22-23H,5,14H2,1-4H3,(H,24,26)/p+1/t22-/m1/s1
InChIKeyPTFVCCJKXLMHAH-JOCHJYFZSA-O
XLogP3.35
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992000
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8992770
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834546
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
CID 9129510
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132583
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992160
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8992045
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium (CID 8992030) is [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium is CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)C(C)C)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The InChIKey is PTFVCCJKXLMHAH-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H28N2O2/c1-5-17-6-8-19(9-7-17)22(15(2)3)23-14-21(26)24-20-12-10-18(11-13-20)16(4)25/h6-13,15,22-23H,5,14H2,1-4H3,(H,24,26)/p+1/t22-/m1/s1.
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium has a molecular weight of 353.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 8992030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).