2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide

C14H21NO2 — CID 78799670

IUPAC2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)11(3)15-14(16)9-12-6-5-7-13(8-12)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyYDOYGSDVSWQYOT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide

2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 78799670) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID78799670
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)11(3)15-14(16)9-12-6-5-7-13(8-12)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyYDOYGSDVSWQYOT-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
3-hydroxy-1-(3-methoxyphenyl)-4-methylpentan-2-one
CID 103455228
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(3-methylbutan-2-yl)acetamide
CID 4221297
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide (CID 78799670) is 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide is COc1cccc(CC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YDOYGSDVSWQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)11(3)15-14(16)9-12-6-5-7-13(8-12)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide?
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78799670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).