N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide

C24H34FN3O2 — CID 10273331

IUPACN-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide
SMILESCCN(CCN(CC)CC(O)c1ccccc1F)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H34FN3O2/c1-5-27(16-22(29)20-12-7-8-13-21(20)25)14-15-28(6-2)17-23(30)26-24-18(3)10-9-11-19(24)4/h7-13,22,29H,5-6,14-17H2,1-4H3,(H,26,30)
InChIKeyZSJVZLRSQGTIMZ-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.76
Rot. Bonds11

About N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide (PubChem CID 10273331) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide
PubChem CID10273331
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC NameN-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide
SMILESCCN(CCN(CC)CC(O)c1ccccc1F)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H34FN3O2/c1-5-27(16-22(29)20-12-7-8-13-21(20)25)14-15-28(6-2)17-23(30)26-24-18(3)10-9-11-19(24)4/h7-13,22,29H,5-6,14-17H2,1-4H3,(H,26,30)
InChIKeyZSJVZLRSQGTIMZ-UHFFFAOYSA-N
XLogP3.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide 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

Mirabegron (m5)
CID 90376256
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
CID 118753371
1-Piperazineacetamide, N-(2-(hydroxymethyl)-6-methylphenyl)-
CID 91799726
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-2-phenylethyl)amino]acetamide;oxalic acid
CID 16246227
N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883346
3-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one
CID 95325909
N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
CID 43392265
N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 51089441
N1-(3-fluoro-4-methylphenyl)-N2-(2-hydroxy-2-(naphthalen-1-yl)ethyl)oxalamide
CID 56764164
N-(2,4-difluorophenyl)-N'-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}ethanediamide
CID 56765506
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 57328189
N-(4-ethylphenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883735

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide (CID 10273331) is N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide is CCN(CCN(CC)CC(O)c1ccccc1F)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide?
The InChIKey is ZSJVZLRSQGTIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-5-27(16-22(29)20-12-7-8-13-21(20)25)14-15-28(6-2)17-23(30)26-24-18(3)10-9-11-19(24)4/h7-13,22,29H,5-6,14-17H2,1-4H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide has a molecular weight of 415.55 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 10273331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).