N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

C15H23NO2 — CID 100690476

IUPACN-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1c(C)cc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-7-18-13-10(2)8-12(9-11(13)3)16-14(17)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,17)
InChIKeyAWCRRFQOAUIAGF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds3

About N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (PubChem CID 100690476) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
PubChem CID100690476
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1c(C)cc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-7-18-13-10(2)8-12(9-11(13)3)16-14(17)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,17)
InChIKeyAWCRRFQOAUIAGF-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
CID 100718308
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (CID 100690476) is N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is CCOc1c(C)cc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The InChIKey is AWCRRFQOAUIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-7-18-13-10(2)8-12(9-11(13)3)16-14(17)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,17).
What are the key properties of N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 100690476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).