2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

C15H21NO2 — CID 17113228

IUPAC2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-11(2)10-18-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)
InChIKeyXYKQPAONEACVFQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds4

About 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (PubChem CID 17113228) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
PubChem CID17113228
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-11(2)10-18-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)
InChIKeyXYKQPAONEACVFQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
2-[[2-(2-methylprop-2-enoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17113215
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
CID 17113349
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-(4-ethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113216
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (CID 17113228) is 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is C=C(C)COc1ccccc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The InChIKey is XYKQPAONEACVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)10-18-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is sourced from PubChem (CID 17113228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).