[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

C24H27N2O+ — CID 2082606

IUPAC[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-19-12-14-21(15-13-19)17-26(2)18-24(27)25-23-11-7-6-10-22(23)16-20-8-4-3-5-9-20/h3-15H,16-18H2,1-2H3,(H,25,27)/p+1
InChIKeyQREKXVSSVPTDKW-UHFFFAOYSA-O
MW359.49 g/mol
LogP3.24
Rot. Bonds7

About [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 2082606) has the molecular formula C24H27N2O+ and a molecular weight of 359.49 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
PubChem CID2082606
Molecular FormulaC24H27N2O+
Molecular Weight359.49 g/mol
Exact Mass359.21
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-19-12-14-21(15-13-19)17-26(2)18-24(27)25-23-11-7-6-10-22(23)16-20-8-4-3-5-9-20/h3-15H,16-18H2,1-2H3,(H,25,27)/p+1
InChIKeyQREKXVSSVPTDKW-UHFFFAOYSA-O
XLogP3.24
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9042178
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium (CID 2082606) is [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is QREKXVSSVPTDKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O/c1-19-12-14-21(15-13-19)17-26(2)18-24(27)25-23-11-7-6-10-22(23)16-20-8-4-3-5-9-20/h3-15H,16-18H2,1-2H3,(H,25,27)/p+1.
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 359.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 2082606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).