N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide

C15H23NO2 — CID 94813101

IUPACN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc([C@@H](C)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-18-13-9-7-8-12(10-13)11(2)16-14(17)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)/t11-/m1/s1
InChIKeyXSHPGJVAXKBUCH-LLVKDONJSA-N
MW249.35 g/mol
LogP3.31
Rot. Bonds4

About N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide

N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 94813101) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID94813101
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc([C@@H](C)NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-18-13-9-7-8-12(10-13)11(2)16-14(17)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)/t11-/m1/s1
InChIKeyXSHPGJVAXKBUCH-LLVKDONJSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536135
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 94813101) is N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide is CCOc1cccc([C@@H](C)NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is XSHPGJVAXKBUCH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-13-9-7-8-12(10-13)11(2)16-14(17)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 94813101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).