N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide

C19H23NO3 — CID 26242416

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-5-22-15-10-12-17(13-11-15)23-16-8-6-14(7-9-16)20-18(21)19(2,3)4/h6-13H,5H2,1-4H3,(H,20,21)
InChIKeyJGDUTJGKKSLDAD-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide

N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 26242416) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID26242416
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-5-22-15-10-12-17(13-11-15)23-16-8-6-14(7-9-16)20-18(21)19(2,3)4/h6-13H,5H2,1-4H3,(H,20,21)
InChIKeyJGDUTJGKKSLDAD-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460
(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
CID 58907580
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
CID 58408889
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide (CID 26242416) is N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide is CCOc1ccc(Oc2ccc(NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is JGDUTJGKKSLDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-22-15-10-12-17(13-11-15)23-16-8-6-14(7-9-16)20-18(21)19(2,3)4/h6-13H,5H2,1-4H3,(H,20,21).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide?
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 26242416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).