2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

C15H21FN2O — CID 78787772

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-5-18(9-11(2)3)10-15(19)17-13-7-6-12(4)14(16)8-13/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19)
InChIKeyWTYUVSKQNHUMOM-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 78787772) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID78787772
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-5-18(9-11(2)3)10-15(19)17-13-7-6-12(4)14(16)8-13/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19)
InChIKeyWTYUVSKQNHUMOM-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.97
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

2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 78787473
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
ethane;3-fluoro-4-methyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]aniline
CID 143826394

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 78787772) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is C=C(C)CN(CC)CC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is WTYUVSKQNHUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-5-18(9-11(2)3)10-15(19)17-13-7-6-12(4)14(16)8-13/h6-8H,2,5,9-10H2,1,3-4H3,(H,17,19).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 264.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 78787772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).