3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide

C13H19ClN2O2 — CID 81489227

IUPAC3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNIJOZLUCJYTDJS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide

3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 81489227) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
PubChem CID81489227
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNIJOZLUCJYTDJS-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699464
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide (CID 81489227) is 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide is CCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is NIJOZLUCJYTDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide?
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 81489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).