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

C20H23FN2O4 — CID 108965915

IUPACN-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4/c1-20(2,19(25)23-15-6-4-14(21)5-7-15)18(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyONSZZMUEANKHFS-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.99
Rot. Bonds8

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

N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108965915) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
PubChem CID108965915
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4/c1-20(2,19(25)23-15-6-4-14(21)5-7-15)18(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyONSZZMUEANKHFS-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529800
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
methyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108964231
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide (CID 108965915) is N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide is COc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is ONSZZMUEANKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-20(2,19(25)23-15-6-4-14(21)5-7-15)18(24)22-12-13-27-17-10-8-16(26-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 374.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).