1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane

C16H25NO2 — CID 142455262

IUPAC1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
SMILESCC.CCNc1cc(C(C)=O)cc(C(=O)C(C)C)c1
InChIInChI=1S/C14H19NO2.C2H6/c1-5-15-13-7-11(10(4)16)6-12(8-13)14(17)9(2)3;1-2/h6-9,15H,5H2,1-4H3;1-2H3
InChIKeyJQAYNBMXNJHGKN-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.19
Rot. Bonds5

About 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane

1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane (PubChem CID 142455262) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
PubChem CID142455262
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
SMILESCC.CCNc1cc(C(C)=O)cc(C(=O)C(C)C)c1
InChIInChI=1S/C14H19NO2.C2H6/c1-5-15-13-7-11(10(4)16)6-12(8-13)14(17)9(2)3;1-2/h6-9,15H,5H2,1-4H3;1-2H3
InChIKeyJQAYNBMXNJHGKN-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylamino)-5-(propan-2-ylamino)phenyl]-2-methylpropan-1-one
CID 146976861
1-[3-chloro-5-(ethylamino)phenyl]ethanone
CID 82535671
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
1-[3-acetyl-5-[3-acetyl-5-(2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 167100943
1-[3-(3,5-diacetylphenoxy)-5-(2-methylpropanoyl)phenyl]-2-methylpropan-1-one
CID 155206864
1-[3,5-bis(propan-2-ylamino)phenyl]-2-methylpropan-1-one;methane;2-methyl-1-[3-(2-methylpropanoyl)-5-(propan-2-ylamino)phenyl]propan-1-one;1-N,3-N,5-N-tri(propan-2-yl)benzene-1,3,5-triamine
CID 161220157
N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 177095457
2-[[3-acetyl-5-[(4-methyl-3-oxopentyl)amino]benzoyl]amino]acetic acid
CID 178048157
ethane;2-[[3-[(7-methyl-6-oxooctyl)amino]-5-(2-methylpropanoyl)benzoyl]amino]acetic acid
CID 178048670
3-(2-methylpropanoyl)-5-propanoylbenzamide
CID 166084831
1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 91437039
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane?
The IUPAC name of 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane (CID 142455262) is 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane is CC.CCNc1cc(C(C)=O)cc(C(=O)C(C)C)c1.
What is the InChIKey of 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane?
The InChIKey is JQAYNBMXNJHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-5-15-13-7-11(10(4)16)6-12(8-13)14(17)9(2)3;1-2/h6-9,15H,5H2,1-4H3;1-2H3.
What are the key properties of 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane?
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane has a molecular weight of 263.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane is sourced from PubChem (CID 142455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).