(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium

C21H29N2O+ — CID 8794486

IUPAC(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O/c1-4-18-9-11-19(12-10-18)15-23(3)16-21(24)22-14-13-20-8-6-5-7-17(20)2/h5-12H,4,13-16H2,1-3H3,(H,22,24)/p+1
InChIKeyLTUSOOMTMAWPOD-UHFFFAOYSA-O
MW325.48 g/mol
LogP1.93
Rot. Bonds8

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

(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8794486) has the molecular formula C21H29N2O+ and a molecular weight of 325.48 g/mol. Its IUPAC name is (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8794486
Molecular FormulaC21H29N2O+
Molecular Weight325.48 g/mol
Exact Mass325.23
IUPAC Name(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O/c1-4-18-9-11-19(12-10-18)15-23(3)16-21(24)22-14-13-20-8-6-5-7-17(20)2/h5-12H,4,13-16H2,1-3H3,(H,22,24)/p+1
InChIKeyLTUSOOMTMAWPOD-UHFFFAOYSA-O
XLogP1.93
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8768691
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8794472
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112722399
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810391
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8791173

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (CID 8794486) is (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is CCc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2C)cc1.
What is the InChIKey of (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is LTUSOOMTMAWPOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O/c1-4-18-9-11-19(12-10-18)15-23(3)16-21(24)22-14-13-20-8-6-5-7-17(20)2/h5-12H,4,13-16H2,1-3H3,(H,22,24)/p+1.
What are the key properties of (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 325.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8794486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).