2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide

C16H23NO3 — CID 134006092

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
SMILESCCC(C)N(C)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO3/c1-6-11(2)17(4)16(19)10-14-9-13(12(3)18)7-8-15(14)20-5/h7-9,11H,6,10H2,1-5H3
InChIKeyXEJXBJMJDXZWCB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.70
Rot. Bonds6

About 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide

2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide (PubChem CID 134006092) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
PubChem CID134006092
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
SMILESCCC(C)N(C)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO3/c1-6-11(2)17(4)16(19)10-14-9-13(12(3)18)7-8-15(14)20-5/h7-9,11H,6,10H2,1-5H3
InChIKeyXEJXBJMJDXZWCB-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78803448
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78788548
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119211962
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide (CID 134006092) is 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide is CCC(C)N(C)C(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide?
The InChIKey is XEJXBJMJDXZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-11(2)17(4)16(19)10-14-9-13(12(3)18)7-8-15(14)20-5/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide is sourced from PubChem (CID 134006092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).