2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid

C17H28N2O2 — CID 106805572

IUPAC2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
SMILESCCN(CCCC(CC)(NC)C(=O)O)c1ccccc1C
InChIInChI=1S/C17H28N2O2/c1-5-17(18-4,16(20)21)12-9-13-19(6-2)15-11-8-7-10-14(15)3/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,20,21)
InChIKeyXBESTSLFGPYWBX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.05
Rot. Bonds9

About 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid

2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid (PubChem CID 106805572) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
PubChem CID106805572
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
SMILESCCN(CCCC(CC)(NC)C(=O)O)c1ccccc1C
InChIInChI=1S/C17H28N2O2/c1-5-17(18-4,16(20)21)12-9-13-19(6-2)15-11-8-7-10-14(15)3/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,20,21)
InChIKeyXBESTSLFGPYWBX-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid 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

methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
CID 64818535
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
CID 106805906
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid (CID 106805572) is 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid is CCN(CCCC(CC)(NC)C(=O)O)c1ccccc1C.
What is the InChIKey of 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid?
The InChIKey is XBESTSLFGPYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(18-4,16(20)21)12-9-13-19(6-2)15-11-8-7-10-14(15)3/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid?
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid has a molecular weight of 292.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).