N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C22H27FN2O3 — CID 108964149

IUPACN-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3/c1-22(2,20(26)24-14-12-16-8-10-18(23)11-9-16)21(27)25-15-13-17-6-4-5-7-19(17)28-3/h4-11H,12-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPETLPLZHVOWJTO-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.88
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964149) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964149
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3/c1-22(2,20(26)24-14-12-16-8-10-18(23)11-9-16)21(27)25-15-13-17-6-4-5-7-19(17)28-3/h4-11H,12-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPETLPLZHVOWJTO-UHFFFAOYSA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
1-[2-(4-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111230762
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964149) is N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1ccccc1CCNC(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is PETLPLZHVOWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-22(2,20(26)24-14-12-16-8-10-18(23)11-9-16)21(27)25-15-13-17-6-4-5-7-19(17)28-3/h4-11H,12-15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 386.47 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).